5-[[4-(4-氯苯氧基)苯基]偶氮]-3-氰 基-6-羟基-N,N,N,4-四甲基-2-氧代-1(2H)-吡啶丙铵氯化物
1(2H)-Pyridinepropanaminium, 5-[2-[4-(4-chlorophenoxy)phenyl]diazenyl]-3-cyano-6-hydroxy-N,N,N,4-tetramethyl-2-oxo-, chloride (1:1) · CAS 71873-54-6
- 中文名
- 5-[[4-(4-氯苯氧基)苯基]偶氮]-3-氰 基-6-羟基-N,N,N,4-四甲基-2-氧代-1(2H)-吡啶丙铵氯化物
- 中文别名
- 暂无
- 英文名
- 1(2H)-Pyridinepropanaminium, 5-[2-[4-(4-chlorophenoxy)phenyl]diazenyl]-3-cyano-6-hydroxy-N,N,N,4-tetramethyl-2-oxo-, chloride (1:1)
- CAS
- 71873-54-6
- CID
- 3085649
- IUPAC 名称
- 3-[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]propyl-trimethylazanium chloride
名称与编号
- 中文名
- 5-[[4-(4-氯苯氧基)苯基]偶氮]-3-氰 基-6-羟基-N,N,N,4-四甲基-2-氧代-1(2H)-吡啶丙铵氯化物
- 中文别名
- 暂无
- 英文名
- 1(2H)-Pyridinepropanaminium, 5-[2-[4-(4-chlorophenoxy)phenyl]diazenyl]-3-cyano-6-hydroxy-N,N,N,4-tetramethyl-2-oxo-, chloride (1:1)
- CAS
- 71873-54-6
- CID
- 3085649
- IUPAC 名称
- 3-[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]propyl-trimethylazanium chloride
分子属性
- 分子式
- C25H27Cl2N5O3
- 分子量
- 516.4 g/mol
- 精确质量
- 515.1490951 Da
- 单同位素质量
- 515.1490951 Da
- XLogP
- 暂无
- 极性表面积
- 98.3 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 7
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 887
结构标识
- InChIKey
- GCUMNDVOVCMEKO-UHFFFAOYSA-N
- SMILES
- CC1=C(C(=O)N(C(=C1C#N)O)CCC[N+](C)(C)C)N=NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl.[Cl-]
- InChI
- InChI=1S/C25H26ClN5O3.ClH/c1-17-22(16-27)24(32)30(14-5-15-31(2,3)4)25(33)23(17)29-28-19-8-12-21(13-9-19)34-20-10-6-18(26)7-11-20;/h6-13H,5,14-15H2,1-4H3;1H