The Cyclohexanamine, 1-methyl-, with the CAS registry number 6526-78-9, is also known as (1-Methylcyclohexyl)amine. This chemical's molecular formula is C7H15N and molecular weight is 113.2007. What's more, its systematic name is 1-Methylcyclohexanamine.
Physical properties about Cyclohexanamine, 1-methyl- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -1.03; (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: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 35.83 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 14.2×10-24 cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.854 g/cm3; (19)Flash Point: 27.5 °C; (20)Enthalpy of Vaporization: 38.52 kJ/mol; (21)Boiling Point: 148.3 °C at 760 mmHg; (22)Vapour Pressure: 4.26 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: NC1(C)CCCCC1
(2) InChI: InChI=1/C7H15N/c1-7(8)5-3-2-4-6-7/h2-6,8H2,1H3
(3) InChIKey: YDBHSDRXUCPTQQ-UHFFFAOYAN
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