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

Name
5-METHYL-1H-IMIDAZOL-2-YLAMINE
EINECS
CAS No. 6653-42-5
Density 1.221 g/cm³
Solubility
Melting Point
Formula C₄H₇N₃
Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 97.1197
Flash Point 165.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Imidazol-2-amine, 5-methyl-;4-Methyl-1H-imidazol-2-amine;
PSA 54.70000
LogP 0.88150

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

Product Name

5-METHYL-1H-IMIDAZOL-2-YLAMINE

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

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