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| CAS No.: | 33259-72-2 |
|---|---|
| Name: | 5,6-DIAMINO-2-PICOLINE, |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C6H9N3 |
| Molecular Weight: | 123.158 |
| Synonyms: | 5,6-Diamino-2-picoline;2,3-Diamino-6-methylpyridine;2-Picoline, 5,6-diamino- (6CI,8CI); |
| EINECS: | 820-604-5 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 69-70 °C |
| Boiling Point: | 294.561 °C at 760 mmHg |
| Flash Point: | 157.016 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 64.93000 |
| LogP: | 1.71680 |
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Specification
The 6-Methyl-2,3-pyridinediamine, with the CAS registry number 33259-72-2, is also known as 2,3-Diamino-6-methylpyridine. This chemical's molecular formula is C6H9N3 and molecular weight is 123.16. What's more, its systematic name is 6-Methyl-2,3-pyridinediamine.
Physical properties of 6-Methyl-2,3-pyridinediamine are: (1)ACD/LogP: 0.078; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.10; (8)ACD/KOC (pH 7.4): 24.56; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.93 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 37.641 cm3; (15)Molar Volume: 103.493 cm3; (16)Polarizability: 14.922×10-24cm3; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 157.016 °C; (20)Enthalpy of Vaporization: 53.421 kJ/mol; (21)Boiling Point: 294.561 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(c(n1)N)N
(2)Std. InChI: InChI=1S/C6H9N3/c1-4-2-3-5(7)6(8)9-4/h2-3H,7H2,1H3,(H2,8,9)
(3)Std. InChIKey: XATOCNYGIWXIQM-UHFFFAOYSA-N