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| CAS No.: | 82-94-0 |
|---|---|
| Name: | METHYL GREEN |
| Molecular Structure: | |
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| Formula: | C26H33Cl2N3 |
| Molecular Weight: | 458.47 |
| Synonyms: | Ammonium, [a-[p-(dimethylamino)phenyl]-a-[4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]-p-tolyl]trimethyl-,dichloride (8CI);Benzenaminium,4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,dichloride (9CI);C.I. Basic Blue 20 (7CI);Light green (6CI);Basic Blue 20;C.I. Basic Violet 3, compd. with chloromethane (1:1);Double green; |
| EINECS: | 201-447-6 |
| Solubility: | Soluble in water |
| PSA: | 6.25000 |
| LogP: | -1.40170 |
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Specification
The Benzenaminium,4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2), with the CAS registry number 82-94-0 and EINECS registry number 201-447-6, has the systematic name of 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-N,N,N-trimethylanilinium dichloride. And the molecular formula of the chemical is C26H33Cl2N3.
The characteristics of Benzenaminium,4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethyl-,chloride (1:2) are as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 6.25 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].[Cl-].C(=C1\C=C/C(=[N+](/C)C)/C=C1)(\c2ccc(cc2)[N+](C)(C)C)c3ccc(N(C)C)cc3
(2)InChI: InChI=1/C26H33N3.2ClH/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;/h8-19H,1-7H3;2*1H/q+2;;/p-2
(3)InChIKey: DWCZIOOZPIDHAB-NUQVWONBAU