替曲氨酯
[CAS# 60763-47-5]

基本信息

• 产品名称: 替曲氨酯
• 英文名: Tetrabamate
• 别名: [2-Butoxy-1-[[3-(3-Butoxy-2-Carbamoyloxy-Propyl)-5-Ethyl-2,4,6-Trioxo-5-Phenyl-Hexahydropyrimidin-1-Yl]Methyl]Ethyl] Carbamate; [1-(Butoxymethyl)-2-(5-Ethyl-2,4,6-Trioxo-5-Phenyl-Hexahydropyrimidin-1-Yl)Ethyl] Carbamate; 5-Ethyl-5-Phenyl-Hexahydropyrimidine-2,4,6-Trione; Carbamic Acid [2-Butoxy-1-[[3-(3-Butoxy-2-Carbamoyloxypropyl)-5-Ethyl-2,4,6-Trioxo-5-Phenyl-1-Hexahydropyrimidinyl]Methyl]Ethyl] Ester; Carbamic Acid [1-(Butoxymethyl)-2-(5-Ethyl-2,4,6-Trioxo-5-Phenyl-1-Hexahydropyrimidinyl)Ethyl] Ester; 5-Ethyl-5-Phenylhexahydropyrimidine-2,4,6-Trione
• 分子式: C₆₀H₈₁N₉O₁₈
• 分子量: 1216.35
• CAS 登录号: 60763-47-5
• 分子行输入简码 SMILES: N1C(=O)C(C(=O)NC1=O)(C2=CC=CC=C2)CC.C4=C(C3(C(=O)N(C(=O)N(C3=O)CC(OC(=O)N)COCCCC)CC(OC(=O)N)COCCCC)CC)C=CC=C4.C6=C(C5(C(=O)N(C(=O)NC5=O)CC(OC(=O)N)COCCCC)CC)C=CC=C6
• 国际化学标识码 InChI: 1S/C28H42N4O9.C20H27N3O6.C12H12N2O3/c1-4-7-14-38-18-21(40-25(29)35)16-31-23(33)28(6-3,20-12-10-9-11-13-20)24(34)32(27(31)37)17-22(41-26(30)36)19-39-15-8-5-2;1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h9-13,21-22H,4-8,14-19H2,1-3H3,(H2,29,35)(H2,30,36);6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27);3-7H,2H2,1H3,(H2,13,14,15,16,17)
• 国际化学标识检索码 InChIKey: HYAMLWDZZVMLGY-UHFFFAOYSA-N

物理化学性质

• 沸点: 739.2°C at 760 mmHg （计算值）
• 闪点: 400.9°C （计算值）