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| CAS No.: | 638-09-5 |
|---|---|
| Name: | 1,3,5-TRIAMINOBENZENE TRIHYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H9N3.3ClH |
| Molecular Weight: | 232.54 |
| Synonyms: | 1,3,5-Triaminobenzene trihydrochloride;Benzene-1,3,5-triamine trihydrochloride;1,3,5-Benzenetriamine, hydrochloride (1:3); |
| Melting Point: | 129 °C(Solv: chloroform (67-66-3)) |
| Boiling Point: | 440.9 °C at 760 mmHg |
| Flash Point: | 220.5 °C |
| PSA: | 78.06000 |
| LogP: | 4.58280 |
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- Total:28 Page 1 of 1 1
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Specification
The 1,3,5-Benzenetriamine, trihydrochloride, with the CAS registry number 638-09-5, is also known as 1,3,5-Triaminobenzene trihydrochloride. This chemical's molecular formula is C6H9N3.3ClH and molecular weight is 232.54. What's more, its systematic name is Benzene-1,3,5-triamine trihydrochloride.
Physical properties of 1,3,5-Benzenetriamine, trihydrochloride are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.66; (5)ACD/KOC (pH 7.4): 3.59; (6)#H bond acceptors: 3; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 78.06 Å2; (10)Flash Point: 220.5 °C; (11)Enthalpy of Vaporization: 71.16 kJ/mol; (12)Boiling Point: 440.9 °C at 760 mmHg; (13)Vapour Pressure: 3.51E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Cl.Nc1cc(N)cc(N)c1
(2)InChI: InChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H
(3)InChIKey: GSPBVFMIOSWQJB-UHFFFAOYSA-N