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| CAS No.: | 861199-62-4 |
|---|---|
| Name: | 6-METHYL-3,4-PYRIDINEDIAMINE |
| Molecular Structure: | |
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| Formula: | C6H9N3 |
| Molecular Weight: | 123.158 |
| Synonyms: | 6-Methyl-3,4-pyridinediamine;3,4-Diamino-6-methylpyridine; |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 341.5 °C at 760 mmHg |
| Flash Point: | 187 °C |
| PSA: | 64.93000 |
| LogP: | 1.71680 |
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- Total:24 Page 1 of 1 1
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Specification
The IUPAC name of 3,4-Pyridinediamine,6-methyl- is 6-methylpyridine-2,3-diamine. With the CAS registry number 861199-62-4, it is also named as 3,4-Diamino-6-methylpyridine. In addition, its molecular formula is C6H9N3 and its molecular weight is 123.15576.
The other characteristics of 3,4-Pyridinediamine,6-methyl- can be summarized as: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.99; (7)#H bond acceptors: 3; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 64.93 Å2; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 37.64 cm3; (13)Molar Volume: 103.4 cm3; (14)Polarizability: 14.92×10-24cm3; (15)Surface Tension: 62.2 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 187 °C; (18)Enthalpy of Vaporization: 58.51 kJ/mol; (19)Boiling Point: 341.5 °C at 760 mmHg; (20)Vapour Pressure: 8.03E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Nc1cnc(C)cc1N
(2)InChI: InChI=1/C6H9N3/c1-4-2-5(7)6(8)3-9-4/h2-3H,8H2,1H3,(H2,7,9)
(3)InChIKey: OGCOZWIGCBYCDQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H9N3/c1-4-2-5(7)6(8)3-9-4/h2-3H,8H2,1H3,(H2,7,9)
(5)Std. InChIKey: OGCOZWIGCBYCDQ-UHFFFAOYSA-N