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CAS号：1566517-83-6|Q-203 Ditosylate
作者：德尔塔 日期：2022-04-02
中文别名 6-chloro-2-ethyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)imidazo[1,2-a]pyridine-3-carboxamide bis(4-methylbenzenesulfonate) 英文别名 Q-203; Q 203; Q203; Q-203 ditosylate; CAS号 1566517-83-6 SMILES O=C(C1=C(CC)N=C2C=CC(Cl)=CN21)NCC3=CC=C(N4CCC(C5=CC=C(OC(F)(F)F)C=C5)CC4)C=C3.O=S(C6=CC=C(C)C=C6)(O)=O.O=S(C7=CC=C(C)C=C7)(O)=O Inchi InChI=1S/C29H28ClF3N4O2.2C7H8O3S/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2*2-5H,1H3,(H,8,9,10) InchiKey CCGFTOLSNJBYDV-UHFFFAOYSA-N 分子式 Formula C43H44ClF3N4O8S2 分子量 Molecular Weight 901.4102 闪点 FP
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CAS号：1667762-62-0|Recanaclotide
作者：德尔塔 日期：2022-04-02
中文别名 (3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-9-((R)-1-hydroxyethyl)-23-isobutyl-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxo-26-((phosphonooxy)methyl)tetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carboxylic acid 英文别名 Recanaclotide; IW-9179; IW 9179; IW9179; CAS号 1667762-62-0 SMILES CC(C[C@@H]1NC([C@@H](NC([C@@H]2CSSC[C@@H]3NC([C@@H](NC([C@@H]4CCCN4C([C@@H](NC([C@@H](NC([C@@H](NC1=O)CSSC[C@@H](C(O)=O)NC(CNC([C@H]([C@H](O)C)NC3=O)=O)=O)=O)CSSC[C@@H](C(N2)=O)N)=O)CC(N)=O)=O)=O)C)=O)=O)COP(O)(O)=O)=O)C Inchi InChI=1S/C45H71N14O20PS6/c1-18(2)8-22-36(65)56-27-15-85-86-17-29(45(74)75)50-32(62)10-48-43(72)33(20(4)60)58-41(70)28-16-84-83-13-25(39(68)53-24(37(66)51-22)11-79-80(76,77)78)55-35(64)21(46)12-81-82-14-26(57-40(27)69)38(67)52-23(9-31(47)61)44(73)59-7-5-6-30(59)42(71)49-19(3)34(63)54-28/h18-30,33,60H,5-17,46H2,1-4H3,(H2,47,61)(H,48,72)(H,49,71)(H,50,62)(H,51,66)(H,52,67)(H,53,68)(H,54,63)(H,55,64)(H,56,65)(H,57,69)(H,58,70)(H,74,75)(H2,76,77,78)/t19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,33-/m0/
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CAS号：1447799-33-8|Reltecimod
作者：德尔塔 日期：2022-04-02
中文别名 (S)-3-((S)-2-((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-(D-alanyl-L-seryl)pyrrolidine-2-carboxamido)-4-(methylthio)butanamido)-4-methylpentanamido)-3-methylbutanamido)propanamido)-3-(4-hydroxyphenyl)propanamido)-4-(((R)-1-carboxyethyl)amino)-4-oxobutanoic acid 英文别名 Reltecimod; AB-103; P-2TA; AB103; P2TA; NSC-37096; BENZCARBIMINE. CAS号 1447799-33-8 SMILES O=C(O)C[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(C([C@H](CO)NC([C@@H](C)N)=O)=O)CCC1)=O)CCSC)=O)CC(C)C)=O)C(C)C)=O)C)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](C(O)=O)C)=O Inchi InChI=1S/C46H72N10O15S/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+/m1/s1 InchiKey VRNHFZYMPDKTBS-WYUJEMNCSA-N
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CAS号：927881-99-0|Rivipansel
作者：德尔塔 日期：2022-04-02
中文别名 (S)-2-(((2R,3R,4S,5S,6R)-3-(benzoyloxy)-2-(((1R,2R,3S,5R)-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-5-((2-(2-(2-(2-oxo-2-((3,6,8-trisulfonaphthalen-1-yl)amino)ethoxy)ethoxy)acetamido)ethyl)carbamoyl)-2-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3-cyclohexylpropanoic acid 英文别名 Rivipansel; GMI-1070; GMI 1070; GMI1070; PF-06460031; PF 06460031; PF06460031; CAS号 927881-99-0 SMILES O=C(O)[C@@H](O[C@@H]1[C@@H](OC(C2=CC=CC=C2)=O)[C@H](O[C@H]3[C@H](O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O4)[C@@H](NC(C(NC5=O)=CC(N5)=O)=O)C[C@@H](C(NCCNC(COCCOCC(NC6=C7C(S(=O)(O)=O)=CC(S(=O)(O)=O)=CC7=CC(S(=O)(O)=O)=C6)=O)=O)=O)C3)O[C@H](CO)[C@@H]1O)CC8CCCCC8 Inchi InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19
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CAS号：115622-58-7|Ro-23-9424
作者：德尔塔 日期：2022-04-02
中文别名 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((((6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinyl)carbonyl)oxy)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))- 英文别名 Ro-23-9424; Ro 239424; Ro23-9424. CAS号 115622-58-7 SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C3=CN(CCF)c4c(F)c(N5CCN(C)CC5)c(F)cc4C3=O)\c6csc(N)n6 Inchi InChI=1S/C31H31F3N8O8S2/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47)/b38-20-/t21-,28-/m1/s1 InchiKey IKYGJSBKPPIKJK-JDKVAZDPSA-N 分子式 Formula C31H31F3N8O8S2 分子量 Molecular Weight 764.75
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CAS号：143488-32-8|Ro 25-0534
作者：德尔塔 日期：2022-04-02
中文别名 (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(((1-(2-(3,4-dihydroxybenzoyl)hydrazineyl)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetamido)-3-((4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 英文别名 Ro 25-0534; Ro-25-0534; Ro 250534. CAS号 143488-32-8 SMILES O=C(C(N12)=C(CN3CCN(C4=CC(N(C5CC5)C=C6C(O)=O)=C(C=C4F)C6=O)CC3)CS[C@]2([H])[C@H](NC(/C(C7=CSC(N)=N7)=N\OC(C)(C)C(NNC(C8=CC=C(O)C(O)=C8)=O)=O)=O)C1=O)O Inchi InChI=1S/C41H41FN10O12S2/c1-41(2,39(63)47-46-33(56)18-3-6-27(53)28(54)11-18)64-48-29(24-17-66-40(43)44-24)34(57)45-30-35(58)52-31(38(61)62)19(16-65-36(30)52)14-49-7-9-50(10-8-49)26-13-25-21(12-23(26)42)32(55)22(37(59)60)15-51(25)20-4-5-20/h3,6,11-13,15,17,20,30,36,53-54H,4-5,7-10,14,16H2,1-2H3,(H2,43,44)(H,45,57)(H,46,56)(H,47,63)(H,59,60)(H,61,62)/b48-29-/t30-,36-/m1/s1IXDFVVUXTFRFQQ-MOSWNVLFSA-N InchiKey IXDFVVUXTFRFQQ-MOSWNVLFSA-N 分子式 Formula
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CAS号：151224-83-8|S-8510 free base
作者：德尔塔 日期：2022-04-02
中文别名 2-(isoxazol-3-yl)-1,6,7,9-tetrahydroimidazo[4,5-d]pyrano[4,3-b]pyridine 英文别名 S-8510; SB-737552; S8510; SB737552; S 8510; SB 737552. CAS号 151224-83-8 SMILES C12=NC=C3C(NC(C4=NOC=C4)=N3)=C1COCC2 Inchi InChI=1S/C12H10N4O2/c1-3-17-6-7-8(1)13-5-10-11(7)15-12(14-10)9-2-4-18-16-9/h2,4-5H,1,3,6H2,(H,14,15) InchiKey ITPFSYAYHHPKRT-UHFFFAOYSA-N 分子式 Formula C12H10N4O2 分子量 Molecular Weight 242.238 闪点 FP 熔点 Melting point 沸点 Boiling point Polarizability极化度
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CAS号：1369773-39-6|4-(((2S,4R)-1-([1,1'-BIPHENYL]-4-YL)-5-ETHOXY-4-METHYLPENTAN-2-YL)AMINO)-4-OXOBUTANOIC ACID
作者：德尔塔 日期：2022-04-02
中文别名 4-(((2S,4R)-1-([1,1'-BIPHENYL]-4-YL)-5-ETHOXY-4-METHYLPENTAN-2-YL)AMINO)-4-OXOBUTANOIC ACID 英文别名 Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) CAS号 1369773-39-6 SMILES CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)[O-].[Ca+2]CopyCopied Inchi InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;/h2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/q;;+2/p-2/t2*17-,21+;/m11./s1CopyCopied InchiKey CBEPUXDVAVZKOB-UHFFFAOYSA-NCopyCopied 分子式 Formula C24H31NO4 分子量 Molecular Weight 178.148 闪点 FP 160.9±26.5 °C
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CAS号：81839-27-2|(S)-alpha-Fluoromethylhistidine HCl
作者：德尔塔 日期：2022-04-02
中文别名 (S)-2-Amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoic acid dihydrochloride 英文别名 α-Fluoromethyl-L-histidine dihydrochloride; a-FMH; alpha-FMH; (S)-alpha-Fluoromethylhistidine 2HCl; (S)-alpha-Fluoromethylhistidine HCl; (S)-alpha-Fluoromethylhistidine dihydrochloride CAS号 81839-27-2 SMILES O=C(O)[C@@](CF)(N)CC1=CN=CN1.[H]Cl.[H]Cl Inchi InChI=1S/C7H10FN3O2.2ClH/c8-3-7(9,6(12)13)1-5-2-10-4-11-5;;/h2,4H,1,3,9H2,(H,10,11)(H,12,13);2*1H/t7-;;/m1../s1 InchiKey LIJUCORJKQZTOS-XCUBXKJBSA-N 分子式 Formula C7H12Cl2FN3O2 分子量 Molecular Weight 260.0904 闪点 FP 熔点 Melting point 沸点 Boiling point
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CAS号：1169829-40-6|Saridegib HCl
作者：德尔塔 日期：2022-04-02
中文别名 N-((2S,3R,3aR,4a'R,6R,6a'R,6b'R,7aR,12a'R,12b'S)-3,6,11',12b'-tetramethyl-2',3a,3',4,4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulen]-3'-yl)methanesulfonamide hydrochloride 英文别名 Saridegib HCl; IPI926 HCl; IPI 926 HCl; IPI-926 HCl; IPI-926 Hydrochloride; IPI926 Hydrochloride; IPI 926 Hydrochloride CAS号 1169829-40-6 SMILES C[C@@H](CN1)C[C@H]([C@H]1[C@H]2C)O[C@@]32CC[C@@H]4[C@@H]5CC[C@@H]6CC(NS(C)(=O)=O)CC[C@]6(C)[C@@H]5CC4=C(C)C3.Cl Inchi InChI=1S/C29H48N2O3S.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19-,20-,21?,22-,23+,25-,26-,27-,28+,29+;/m1./s1 InchiKey LICVMCOINZNZNW-ZMLHKANGSA-N 分子式 Formula C29H49ClN2O3S 分子量 Molecular Weight 541.23
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CAS号：351490-72-7|SB-423562 HCl
作者：德尔塔 日期：2022-04-02
中文别名 (R)-3-(4-cyano-3-(3-((1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)phenyl)propanoic acid hydrochloride 英文别名 NPSP-795; SB-423562; SB-423562-A; SHP-635; SB-423562A; NPSP795; SB423562; SB423562A; SHP635; SB423562A; NPSP 795; SB 423562; SB 423562 A; SHP 635;SB 423562A CAS号 351490-72-7 SMILES O=C(O)CCC1=CC=C(C#N)C(OC[C@H](O)CNC(C)(C)CC2CC3=C(C=CC=C3)C2)=C1.[H]Cl Inchi InChI=1S/C26H32N2O4.ClH/c1-26(2,14-19-11-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-13-18(8-10-25(30)31)7-9-22(24)15-27;/h3-7,9,13,19,23,28-29H,8,10-12,14,16-17H2,1-2H3,(H,30,31);1H/t23-;/m1./s1 InchiKey WVXHWCHBKCXTJA-GNAFDRTKSA-N 分子式 Formula C26H33ClN2O4 分子量 Molecular Weight 473.01 闪点 FP
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CAS号：113611-67-9|Sdrnflrfamide
作者：德尔塔 日期：2022-04-02
中文别名 (6S,9S,12S,15S,18S,21S)-1-amino-6-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-15-(2-amino-2-oxoethyl)-21-((S)-2-amino-3-hydroxypropanamido)-12-benzyl-18-(3-guanidinopropyl)-1-imino-9-isobutyl-8,11,14,17,20-pentaoxo-2,7,10,13,16,19-hexaazatricosan-23-oic acid 英文别名 Sdrnflrfamide; Ser-asp-arg-asn-phe-leu-arg-phe-NH2; CAS号 113611-67-9 SMILES O=C(N)[C@H](CC1=CC=CC=C1)NC([C@H](CCCNC(N)=N)NC([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)NC([C@H](CC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC(O)=O)NC([C@H](CO)N)=O)=O)=O)=O)=O)=O)=O Inchi InChI=1S/C47H72N16O12/c1-25(2)19-32(42(72)57-29(15-9-17-55-46(51)52)40(70)59-31(38(50)68)20-26-11-5-3-6-12-26)61-43(73)33(21-27-13-7-4-8-14-27)62-44(74)34(22-36(49)65)63-41(71)30(16-10-18-56-47(53)54)58-45(75)35(23-37(66)67)60-39(69)28(48)24-64/h3-8,11-14,25,28-35,64H,9-10,15-24,48H2,1-2H3,(H2,49,65)(H2,50,68)(H,57,72)(H,58,75)(H,59,70)(H,60,69)(H,61,73)(H,62,74)(H,63,71)(H,66,67)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1 InchiKey XDWWLWMXAUKGDZ-DZCXQCEKSA-N
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CAS号：1160833-51-1|SEN-826
作者：德尔塔 日期：2022-04-02
中文别名 (1-(3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)piperidin-4-yl)(4-methylpiperazin-1-yl)methanone 英文别名 SEN-826; SEN826; SEN 826. CAS号 1160833-51-1 SMILES O=C(C1CCN(C2=CC=CC(C3=NC4=CC=CC=C4N3C)=C2)CC1)N5CCN(C)CC5 Inchi InChI=1S/C25H31N5O/c1-27-14-16-30(17-15-27)25(31)19-10-12-29(13-11-19)21-7-5-6-20(18-21)24-26-22-8-3-4-9-23(22)28(24)2/h3-9,18-19H,10-17H2,1-2H3 InchiKey RWGIDDKTIFQTQX-UHFFFAOYSA-N 分子式 Formula C25H31N5O 分子量 Molecular Weight 417.557 闪点 FP 熔点 Melting point 沸点 Boiling point Polariz
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CAS号：126728-71-0|SF 2575
作者：德尔塔 日期：2022-04-02
中文别名 Benzoic acid, 2-hydroxy-, 3-(aminocarbonyl)-8-(2,6-dideoxy-4-O-(2-methyl-1-oxo-2-butenyl)-beta-D-arabino-hexopyranosyl)-1,4,4a,6,11,11a,12,12a-octahydro-2,5,7-trihydroxy-4a,11-dimethoxy-11-methyl-4,6-dioxo-1-naphthacenyl ester, (1R-(1-alpha,4a-alpha,11-beta,11a-beta,12a-beta))- 英文别名 SF 2575; SF2575; SF-2575 CAS号 126728-71-0 SMILES O=C(O[C@@H]1C(O)=C(C(N)=O)C([C@@]2(OC)C(O)=C3C(C4=C([C@@](C)(OC)[C@]3([H])C[C@@]21[H])C=CC([C@H]5C[C@H]([C@@H]([C@@H](C)O5)OC(/C(C)=C/C)=O)O)=C4O)=O)=O)C6=CC=CC=C6O Inchi InChI=1S/C40H43NO15/c1-7-16(2)37(50)55-32-17(3)54-25(15-24(32)43)19-12-13-20-26(29(19)44)30(45)27-21(39(20,4)52-5)14-22-33(56-38(51)18-10-8-9-11-23(18)42)31(46)28(36(41)49)35(48)40(22,53-6)34(27)47/h7-13,17,21-22,24-25,32-33,42-44,46-47H,14-15H2,1-6H3,(H2,41,49)/b16-7+/t17-,21-,22-,24-,25-,32-,33+,39-,40+/m1/s1 InchiKey MPBVFNYOBQUJEJ-GNOOZHHESA-N 分子式 Formula C40H43NO15 分子量 Molecu
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CAS号：1607006-78-9|Silagaba132
作者：德尔塔 日期：2022-04-02
中文别名 (S)-3-Aminomethyl-4-(1-methyl-silolan-1-yl)-butyric acid 英文别名 Silagaba-132; Silagaba 132; Silagaba132 CAS号 1607006-78-9 SMILES O=C(O)C[C@@H](CN)C[Si]1(CCCC1)C Inchi InChI=1S/C10H21NO2Si/c1-14(4-2-3-5-14)8-9(7-11)6-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)/t9-/m0/s1 InchiKey FBZGGKHJNAORPF-VIFPVBQESA-N 分子式 Formula C10H21NO2Si 分子量 Molecular Weight 215.37 闪点 FP 熔点 Melting point 沸点 Boiling point Polarizability极化度
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