Methanaminium,N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,hydroxide (1:1) | 35919-71-2
Methanaminium,N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,hydroxide (1:1)
35919-71-2
C25H30N3+.HO-
389.53314
名称和标识符
InChIKey |
DTZKQLMCGDSBNI-UHFFFAOYSA-M |
Inchi |
InChI=1S/C25H30N3.H2O/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H2/q+1;/p-1 |
SMILES |
[OH-].CN(C1C=CC(C(=C2C=CC(=[N+](C)C)C=C2)C2C=CC(N(C)C)=CC=2)=CC=1)C |c:6,t:10| |
别名信息
- 英文别名 -
- Methanaminium,N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,hydroxide (1:1)
- [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium,hydroxide
- (4-(Bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)dimethylammonium hydroxide
- N-(4-{bis[4-(dimethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium hydroxide
- NS00088898
- P7K72K7GZV
- UNII-P7K72K7GZV
- METHANAMINIUM, N-(4-(BIS(4-(DIMETHYLAMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-METHYL-, HYDROXIDE (1:1)
- 35919-71-2
- DTXSID40189484
- EINECS 252-789-8
物化性质
实验特性
PSA |
39.49 |
沸点 |
°Cat760mmHg |
闪点 |
°C |
计算特性
精确分子量 |
389.24693 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
4 |
同位素质量 |
389.246713 |
重原子数量 |
29 |
复杂度 |
542 |
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 |
0 |
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 |
2 |
拓扑分子极性表面积 |
10.5 |
Methanaminium,N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,hydroxide (1:1)推荐生产厂家