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CAS No.: | 486414-86-2 |
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Name: | (1-METHYL-1H-IMIDAZOL-5-YL)METHYLAMINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H9N3 |
Molecular Weight: | 111.147 |
Synonyms: | (1-Methyl-1H-imidazol-5-yl)methanamine;1-(1-Methyl-1H-imidazol-5-yl)methanamine;5-Aminomethyl-1-methylimidazole;C-(3-Methyl-3H-imidazol-4-yl)methylamine;[(1-Methylimidazol-5-yl)methyl]amine; |
Density: | 1.16 g/cm3 |
Boiling Point: | 292.2 °C at 760 mmHg |
Flash Point: | 130.5 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
Transport Information: | 2735 |
PSA: | 43.84000 |
LogP: | 0.57910 |
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This chemical is called 1H-Imidazole-5-methanamine, 1-methyl-, and its systematic name is 1-(1-methyl-1H-imidazol-5-yl)methanamine. With the molecular formula of C5H9N3, its molecular weight is 111.15. The CAS registry number of this chemical is 486414-86-2.
Other characteristics of the 1H-Imidazole-5-methanamine, 1-methyl- can be summarised as followings: (1)ACD/LogP: -1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.54; (4)ACD/LogD (pH 7.4): -3.49; (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: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 31.77 cm3; (15)Molar Volume: 95.5 cm3; (16)Polarizability: 12.59×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 130.5 °C; (20)Enthalpy of Vaporization: 53.17 kJ/mol; (21)Boiling Point: 292.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00186 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. Wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: n1cc(n(c1)C)CN
2.InChI: InChI=1/C5H9N3/c1-8-4-7-3-5(8)2-6/h3-4H,2,6H2,1H3
3.InChIKey: PYAQTQXFMQWCHQ-UHFFFAOYAI