24978-68-5 (1-1,4a-二甲基-7-(丙-2-基)-1,2,3,4,4a,9,10,10a-八氢菲-1-基甲胺,1-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-ylmethanamine)

CAS号:
24978-68-5
中文名称:
1-1,4a-二甲基-7-(丙-2-基)-1,2,3,4,4a,9,10,10a-八氢菲-1-基甲胺
英文名称:
1-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-ylmethanamine
分子式:
C20H31N
分子量:
285.466845750809

1-1,4a-二甲基-7-(丙-2-基)-1,2,3,4,4a,9,10,10a-八氢菲-1-基甲胺(24978-68-5)名称与标识符

名称

英文别名:
Dihydroabietylamine;Abietamide, N,N-bis(2-chloroethyl)-;AC1MI4UF;dehydroabiethylamine;Dehydroabietinsaeure-[bis-(2-chlorethyl)amid];Dehydroabietinsaeure-< bis-(2-chlorethyl)amid>;Dehydrobietylamin;hydroabietylamine;LS-117897;N,N-Bis(2-chloroethyl)abietamide;Podocarpa-8,11,13-trien-15-amide, N,N-bis(2-chloroethyl)-13-isopropyl-;1-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-ylmethanamine;1-Phenanthrenemethanamine,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-;Abieta-8,11,13-trien-18-amine;SCHEMBL4943352;(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine;24978-68-5;Dehydroabietylamine-d4Hydrochloride;NSC65238, 5;Abietylamine, dehydro-;MFCD00213430;D-(+)-Dehydroabietylamine;Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-;[1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanamine;Amine D;(+)-Dehydroabietylamine;NSC85674;NSC-85674;CHEMBL1738979;NCIOpen2_005025;Rosin amine D (Salt/Mix);SY008134;(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine;DEHYDROABIETYLAMINE;BBL028089;NCI60_018354;EN300-17681;1R-1.alpha.,2,3,4,4a.beta.,9,10,10a.alpha.-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenemethanamine;DTXSID70859648;AKOS002528417;(7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine;DB-017851;1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-;1-[1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanamine;VS-08663;BDBM92342;

标识符

InChIKey:
JVVXZOOGOGPDRZ-UHFFFAOYSA-N
Inchi:
1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3
SMILES:
NCC1(C)CCCC2(C)C3C=CC(C(C)C)=CC=3CCC21

1-1,4a-二甲基-7-(丙-2-基)-1,2,3,4,4a,9,10,10a-八氢菲-1-基甲胺(24978-68-5)物化性质

实验特性

  • 折射率 : 1.527
  • 沸点 : 382.8°C at 760 mmHg
  • 熔点 : 317.65 deg K
  • 闪点 : 156.7°C
  • 密度 : 0.963

计算特性

  • 精确分子量 : 285.246
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 285.246
  • 重原子数量 : 21
  • 复杂度 : 376
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 3
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.4
  • 拓扑分子极性表面积 : 26A^2