Basic information
- Name:
2,3,7-Phenazinetriamine,N2-[4-(dimethylamino)phenyl]-N7,N7-dimethyl-, monohydrochloride (9CI)
- CAS No.:
3562-46-7
- Molecular Structure:
![Molecular Structure of 3562-46-7 (2,3,7-Phenazinetriamine,N2-[4-(dimethylamino)phenyl]-N7,N7-dimethyl-, monohydrochloride (9CI))](http://www.lookchem.com/300w/2010/0621/3562-46-7.jpg)
- Formula:
- C22H25ClN6
- Molecular Weight:
- 408.93
- Synonyms:
- Neutralviolet (6CI);Phenazine, 3-amino-7-(dimethylamino)-2-[p-(dimethylamino)anilino]-,monohydrochloride (8CI);C.I. 50030;Neutral Violet Extra;Neutral violet(biological stain);
- Boiling Point:
- 618.7 °C at 760 mmHg
- Flash Point:
- 328 °C
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Specification
This chemical is called N2-[4-(dimethylamino)phenyl]-N7,N7-dimethylphenazine-2,3,7-triamine hydrochloride (1:1), and its IUPAC name is 2-N-[4-(dimethylamino)phenyl]-7-N,7-N-dimethylphenazine-2,3,7-triamine hydrochloride. With the molecular formula of C22H25ClN6, its molecular weight is 408.93. The CAS registry number of this chemical is 3562-46-7.
Other characteristics of the N2-[4-(dimethylamino)phenyl]-N7,N7-dimethylphenazine-2,3,7-triamine hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 38.74 Å2; (7)Flash Point: 328 °C; (8)Enthalpy of Vaporization: 91.72 kJ/mol; (9)Boiling Point: 618.7 °C at 760 mmHg; (10)Vapour Pressure: 3.11E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.n1c4c(nc2c1cc(c(c2)N)Nc3ccc(N(C)C)cc3)cc(N(C)C)cc4
2.InChI: InChI=1/C22H24N6.ClH/c1-27(2)15-7-5-14(6-8-15)24-19-13-22-21(12-17(19)23)26-20-11-16(28(3)4)9-10-18(20)25-22;/h5-13,24H,23H2,1-4H3;1H
3.InChIKey: USDDHXNRSWIAES-UHFFFAOYAV