Specification: |
The 2,3-Diamino-5-methylpyridine, with the CAS registry number 24638-29-7, has the systematic name of 5-methylpyridine-2,3-diamine. It is also called 2,3-pyridinediamine, 5-methyl-, and should be stored at dry and cool environment. And the molecular formula of the chemical is C6H9N3.
The characteristics of 2,3-Diamino-5-methylpyridine are as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 55; (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: 62.279 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 170.583 °C; (20)Enthalpy of Vaporization: 55.703 kJ/mol; (21)Boiling Point: 315.761 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cnc(N)c(N)c1
(2)InChI: InChI=1/C6H9N3/c1-4-2-5(7)6(8)9-3-4/h2-3H,7H2,1H3,(H2,8,9)
(3)InChIKey: AITFREYTVOPXOT-UHFFFAOYAD
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