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| CAS No.: | 501-75-7 |
|---|---|
| Name: | 2-(1-methylimidazol-4-yl)ethanamine |
| Molecular Structure: | |
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| Formula: | C6H11N3 |
| Molecular Weight: | 125.173 |
| 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; |
| Density: | 1.11 g/cm3 |
| Boiling Point: | 296.7 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| PSA: | 43.84000 |
| LogP: | 2.22560 |
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- Total:20 Page 1 of 1 1
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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