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5-Methyl-1H-imidazol-2-amine (6653-42-5)

Identification
Name:5-Methyl-1H-imidazol-2-amine
Synonyms:1H-Imidazol-2-amine, 5-methyl-;4-Methyl-1H-imidazol-2-amine;
CAS:6653-42-5
Molecular Formula: C4H7N3
Molecular Weight: 97.12
InChI: InChI=1/C4H7N3/c1-3-2-6-4(5)7-3/h2H,1H3,(H3,5,6,7)
Molecular Structure: (C4H7N3) 1H-Imidazol-2-amine, 5-methyl-;4-Methyl-1H-imidazol-2-amine;
Properties
Flash Point: 165.6°C
Boiling Point: 307.9°C at 760 mmHg
Density:1.221g/cm3
Refractive index:1.617
Specification:

The IUPAC name of 5-Methyl-1H-imidazol-2-amine is 5-methyl-1H-imidazol-2-amine. With the CAS registry number 6653-42-5, it is also named as 1H-Imidazol-2-amine, 5-methyl-. In addition, its molecular formula is C4H7N3 and its molecular weight is 97.12. 

The other characteristics of 5-Methyl-1H-imidazol-2-amine can be summarized as: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.61; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 3; (10)H bond donors: 3; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 27.83 cm3; (15)Molar Volume: 79.5 cm3; (16)Polarizability: 11.03×10-24cm3; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.221 g/cm3; (19)Flash Point: 165.6 °C; (20)Enthalpy of Vaporization: 54.86 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000703 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:n1cc(nc1N)C
(2)InChI:InChI=1/C4H7N3/c1-3-2-6-4(5)7-3/h2H,1H3,(H3,5,6,7)
(3)InChIKey:BKRYFHAXBGUIOI-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C4H7N3/c1-3-2-6-4(5)7-3/h2H,1H3,(H3,5,6,7)
(5)Std. InChIKey:BKRYFHAXBGUIOI-UHFFFAOYSA-N

Flash Point: 165.6°C
Safety Data
 

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