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642075-18-1

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Basic Information
CAS No.: 642075-18-1
Name: ETHYL-(1-METHYL-1 H-IMIDAZOL-2-YLMETHYL)-AMINE
Molecular Structure:
Molecular Structure of 642075-18-1 (ETHYL-(1-METHYL-1 H-IMIDAZOL-2-YLMETHYL)-AMINE)
Formula: C7H13N3
Molecular Weight: 139.2
Synonyms: 2-(Ethylaminomethyl)-1-methylimidazole;
Density: 1.03 g/cm3
Boiling Point: 254 °C at 760 mmHg
Flash Point: 107.4 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 29.85000
LogP: 0.92050
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    Molecular Formula: C7H13N3 Formula Weight: 139.2

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Specification

The 1H-Imidazole-2-methanamine,N-ethyl-1-methyl-, with the CAS registry number 642075-18-1, is also known as 2-(Ethylaminomethyl)-1-methylimidazole. It belongs to the product category of Aminetertiary. This chemical's molecular formula is C7H13N3 and molecular weight is 139.2. What's more, its IUPAC name is N-[(1-Methylimidazol-2-yl)methyl]ethanamine.

Physical properties about 1H-Imidazole-2-methanamine,N-ethyl-1-methyl-: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.1; (4)ACD/LogD (pH 7.4): -1.35; (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): 1.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 41.94 cm3; (15)Molar Volume: 135 cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 1.03 g/cm3; (18)Flash Point: 107.4 °C; (19)Enthalpy of Vaporization: 49.14 kJ/mol; (20)Boiling Point: 254 °C at 760 mmHg; (21)Vapour Pressure: 0.0177 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccn(c1CNCC)C
(2) InChI: InChI=1/C7H13N3/c1-3-8-6-7-9-4-5-10(7)2/h4-5,8H,3,6H2,1-2H3
(3) InChIKey: FZEVGHJNAKWZTR-UHFFFAOYAC