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6909-93-9

Basic Information
CAS No.: 6909-93-9
Name: 2,5-DIAMINO-4-PICOLINE
Article Data: 4
Molecular Structure:
Molecular Structure of 6909-93-9 (2,5-DIAMINO-4-PICOLINE)
Formula: C6H9N3
Molecular Weight: 123.158
Synonyms: 2,5-Diamino-4-methyl pyridine;2,5-Diamino-4-picoline;
Density: 1.19 g/cm3
Boiling Point: 333 °C at 760 mmHg
Flash Point: 181.6 °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 2,5-Pyridinediamine,4-methyl-, with the CAS registry number 6909-93-9, is also known as 2,5-Diamino-4-methyl pyridine and 2,5-Diamino-4-picoline. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H9N3 and molecular weight is 123. What's more, its IUPAC name is called 4-Methylpyridin-1-ium-2,5-diamine.

Physical properties about 2,5-Pyridinediamine,4-methyl- are: (1)ACD/LogP: -0.01; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.42; (8)ACD/KOC (pH 7.4): 19.58; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 19.37 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 37.64 cm3; (15)Molar Volume: 103.4 cm3; (16)Surface Tension: 62.2 dyne/cm; (17)Density: 1.19 g/cm3; (18)Flash Point: 181.6 °C; (19)Enthalpy of Vaporization: 57.58 kJ/mol; (20)Boiling Point: 333 °C at 760 mmHg; (21)Vapour Pressure: 0.000141 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(N)c(cc1N)C
(2) InChI: InChI=1/C6H9N3/c1-4-2-6(8)9-3-5(4)7/h2-3H,7H2,1H3,(H2,8,9)
(3) InChIKey: HSWAACWBNMVEEW-UHFFFAOYAR