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5-Methyl-1H-imidazol-2-amine

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Name

5-Methyl-1H-imidazol-2-amine

EINECS N/A
CAS No. 6653-42-5 Density 1.221 g/cm3
PSA 54.70000 LogP 0.88150
Solubility N/A Melting Point N/A
Formula C4H7N3 Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 97.1197 Flash Point 165.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 6653-42-5 (5-METHYL-1H-IMIDAZOL-2-YLAMINE) Hazard Symbols Xn
Synonyms

1H-Imidazol-2-amine, 5-methyl-;4-Methyl-1H-imidazol-2-amine;

 

5-Methyl-1H-imidazol-2-amine 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

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