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1H-Imidazole-4-ethanamine,1-methyl-

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Name

1H-Imidazole-4-ethanamine,1-methyl-

EINECS N/A
CAS No. 501-75-7 Density 1.11 g/cm3
PSA 43.84000 LogP 2.22560
Solubility N/A Melting Point N/A
Formula C6H11N3 Boiling Point 296.7 °C at 760 mmHg
Molecular Weight 125.173 Flash Point 133.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 501-75-7 (2-(1-methylimidazol-4-yl)ethanamine) Hazard Symbols N/A
Synonyms

Imidazole,4-(2-aminoethyl)-1-methyl- (6CI,7CI,8CI);1-Methyl-1H-imidazole-4-ethanamine;1-Methyl-4-(2-aminoethyl)imidazole;1-Methyl-4-(b-aminoethyl)imidazole;1-Methyl-4-histamine;1-Methylhistamine;2-(1-Methyl-1H-imidazol-4-yl)ethanamine;4-(2-Aminoethyl)-1-methylimidazole;N-tele-Methylhistamine;N1-Methylhistamine;NSC 66736;tele-Methylhistamine;

Article Data 12

1H-Imidazole-4-ethanamine,1-methyl- Specification

The 1H-Imidazole-4-ethanamine,1-methyl-, with the CAS registry number 501-75-7, has the systematic name of 2-(1-methyl-1H-imidazol-4-yl)ethanamine. It is used as histamine methyltransferase antagonist. And the molecular formula of this chemical is C6H11N3.

The physical properties of 1H-Imidazole-4-ethanamine,1-methyl- are as following: (1)ACD/LogP: -0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -2.7; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 36.38 cm3; (15)Molar Volume: 111.7 cm3; (16)Polarizability: 14.42×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 133.2 °C; (20)Enthalpy of Vaporization: 53.65 kJ/mol; (21)Boiling Point: 296.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00141 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cn(c1)C)CCN
(2)InChI: InChI=1/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
(3)InChIKey: FHQDWPCFSJMNCT-UHFFFAOYAR

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