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40571-45-7

Basic Information
CAS No.: 40571-45-7
Name: 1-Methylcyclopentanamine
Molecular Structure:
Molecular Structure of 40571-45-7 (1-Methylcyclopentanamine)
Formula: C6H13N
Molecular Weight: 99.1759
Synonyms: Cyclopentylamine, 1-methyl- (6CI);1-Amino-1-methylcyclopentane;1-Methylcyclopentylamine;
Density: 0.864 g/cm3
Boiling Point: 121 °C at 760 mmHg
Flash Point: 9.2 °C
PSA: 26.02000
LogP: 1.97810
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Specification

The Cyclopentanamine, 1-methyl- is an organic compound with the formula C6H13N. The systematic name of this chemical is 1-methylcyclopentanamine. With the CAS registry number 40571-45-7, it is also named as 1-Amino-1-methylcyclopentane.

Physical properties about Cyclopentanamine, 1-methyl- are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): -1.73; (3)ACD/LogD (pH 7.4): -1.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 31.22 cm3; (14)Molar Volume: 114.7 cm3; (15)Polarizability: 12.37×10-24cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 0.864 g/cm3; (18)Flash Point: 9.2 °C; (19)Enthalpy of Vaporization: 35.91 kJ/mol; (20)Boiling Point: 121 °C at 760 mmHg; (21)Vapour Pressure: 14.9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC1(C)CCCC1
(2)InChI: InChI=1/C6H13N/c1-6(7)4-2-3-5-6/h2-5,7H2,1H3
(3)InChIKey: TWASBYPJZBHZQJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H13N/c1-6(7)4-2-3-5-6/h2-5,7H2,1H3
(5)Std. InChIKey: TWASBYPJZBHZQJ-UHFFFAOYSA-N