75281-86-6 ((()-4-(dimethylamino)-2,2-diphenylpentanonitrile)

CAS号:
75281-86-6
英文名称:
()-4-(dimethylamino)-2,2-diphenylpentanonitrile
分子式:
C19H22N2
分子量:
278.391384601593

()-4-(dimethylamino)-2,2-diphenylpentanonitrile(75281-86-6)名称与标识符

名称

英文别名:
()-4-(dimethylamino)-2,2-diphenylpentanonitrile;(1)-4-(Dimethylamino)-2,2-diphenylpentanonitrile;4-cyano-2-dimethylamino-4,4-diphenylbutane;2,2-Diphenyl-4-dimethylaminopentanenitrile;2,2-Diphenyl-4-(dimethylamino)valeronitrile;SCHEMBL504205;Methadone intermediate (1mg/ml in Acetonitrile);NSC 2089;NSC50382;4-dimethylamino-2,2-diphenylpentanenitrile;butane, 1-cyano-3-dimethylamino-1,1-diphenyl-;Didiavalo;IDS-NM-003;NSC-2089;UNII-0GYB2HJA89;DEA No. 9254;(4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile (Didiavalo; Premethadone; Methadone Nitrile);4-(Dimethylamino)-2,2-diphenylpentanenitrile #;DTXCID4028838;DIDIAVALO, (+/-)-;NCGC00247341-01;Benzeneacetonitrile, .alpha.-[2-(dimethylamino)propyl]-.alpha.-phenyl-;4-cyano-2-dimethylamino-4,4-diphenyl butane;METHADONE-INTERMEDIATE;Valeronitrile,2-diphenyl-;LEVOMETHADONE HYDROCHLORIDE IMPURITY B [EP IMPURITY];BS-5037;75281-86-6;4-(Dimethylamino)-2,2-diphenylpentanenitrile;NCGC00247341-02;0GYB2HJA89;4-(Dimethylamino)-2,2-diphenylvaleronitrile;Valeronitrile, 4-(dimethylamino)-2,2-diphenyl-;Methadon-zwischenprodukt;NSC2089;Premethadone;4-Cyano-2-dimethylamino-4,4-diphenylbutane (methadone-intermediate);CHEMBL2362721;NS00024031;EINECS 204-755-9;(+/-)-4-Dimethylamino-2,2-diphenylvaleronitrile;Premethadon;4-Dimethylamino-2,2-diphenylvaleronitrile;Benzeneacetonitrile, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-;AKOS025392613;Tox21_112859;2,2-Diphenyl-4-dimethylaminovaleronitrile;NSC-50382;MLS002320724;BENZENEACETONITRILE, .ALPHA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-PHENYL-;HMS2272J04;125-79-1;CAS-125-79-1;C22686;(4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile;Q12470029;propane, 1-cyano-3-dimethylamino-3-methyl-1,1-diphenyl-;METHADONE-INTERMEDIATE, 4-CYANO-2-DIMETHYLAMINO-4,4-DIPHENYL BUTANE;Methadone intermediate;EINECS 278-172-3;METHADONE HYDROCHLORIDE IMPURITY B [EP IMPURITY];DTXSID1048912;SMR001338870;

标识符

InChIKey:
GJJQIGFCGLPOQK-UHFFFAOYSA-N
Inchi:
1S/C19H22N2/c1-16(21(2)3)14-19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
SMILES:
N(C)(C)C(C)CC(C#N)(C1C=CC=CC=1)C1C=CC=CC=1

()-4-(dimethylamino)-2,2-diphenylpentanonitrile(75281-86-6)物化性质

计算特性

  • 精确分子量 : 278.178298710g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 5
  • 同位素质量 : 278.178298710g/mol
  • 重原子数量 : 21
  • 复杂度 : 335
  • 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 : 1
  • 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) : 3.9
  • 拓扑分子极性表面积 : 27Ų