1H-Imidazole-5-methanamine supplier

Name
(1H-IMIDAZOL-4-YL)METHANAMINE
EINECS
CAS No. 13400-46-9
Article Data9
CAS DataBase
Density 1.199 g/cm³
Solubility
Melting Point
Formula C₄H₇N₃
Boiling Point 341.926 °C at 760 mmHg
Molecular Weight 97.1197
Flash Point 187.326 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Imidazole-4-methanamine(9CI);Imidazole, 4(or 5)-(aminomethyl)- (6CI,7CI);Imidazole, 4-(aminomethyl)-(8CI);(1H-Imidazol-4-ylmethyl)amine dihydrochloride;4(5)-Aminomethylimidazole;4-(Aminomethyl)imidazole;4-Aminomethyl-1H-imidazole;
PSA 54.70000
LogP 0.56870

1H-Imidazole-5-methanamine Specification

The 1H-Imidazole-5-methanamine is an organic compound with the formula C₄H₇N₃. The IUPAC name of this chemical is 1H-imidazol-5-ylmethanamine. With the CAS registry number 13400-46-9, it is also named as C-(1H-Imidazol-4-yl)-methylamine. The product's category is Pharmacetical.

Physical properties about 1H-Imidazole-5-methanamine are: (1)ACD/LogP: -0.27; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.7 Å²; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 27.229 cm³; (14)Molar Volume: 80.968 cm³; (15)Polarizability: 10.794×10^-24cm³; (16)Surface Tension: 61.643 dyne/cm; (17)Density: 1.199 g/cm3; (18)Flash Point: 187.326 °C; (19)Enthalpy of Vaporization: 58.563 kJ/mol; (20)Boiling Point: 341.926 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1cncn1
(2)InChI: InChI=1/C4H7N3/c5-1-4-2-6-3-7-4/h2-3H,1,5H2,(H,6,7)
(3)InChIKey: MPCYZPCWSYUWMJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h2-3H,1,5H2,(H,6,7)
(5)Std. InChIKey: MPCYZPCWSYUWMJ-UHFFFAOYSA-N

Product Name

(1H-IMIDAZOL-4-YL)METHANAMINE

1H-Imidazole-5-methanamine Specification

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