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13338-82-4

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Basic Information
CAS No.: 13338-82-4
Name: 4-(Aminomethyl)cyclohexylamine
Article Data: 3
Molecular Structure:
Molecular Structure of 13338-82-4 (4-(Aminomethyl)cyclohexylamine)
Formula: C7H16N2
Molecular Weight: 128.21
Synonyms: Cyclohexanemethylamine,4-amino- (8CI);4-(Aminomethyl)cyclohexylamine;4-Aminomethyl-1-cyclohexanamine;
Density: 0.923 g/cm3
Boiling Point: 207.1 °C at 760 mmHg
Flash Point: 91.2 °C
PSA: 52.04000
LogP: 1.86320
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Specification

The 4-(Aminomethyl)cyclohexylamine, with the cas registry number of 13338-82-4, is also known as Cyclohexanemethanamine, 4-amino-. This chemical's molecular formula is C7H16N2 and formula weight is 128.21. What's more, its systematic name is called 4-(Aminomethyl)cyclohexanamine.

Physical properties about this chemical are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.48; (8)Molar Refractivity: 39.45 cm3; (9)Molar Volume: 138.7 cm3; (10)Surface Tension: 37.5 dyne/cm; (11) Density: 0.923 g/cm3; (12)Flash Point: 91.2 °C; (13)Enthalpy of Vaporization: 44.33 kJ/mol; (14)Boiling Point: 207.1 °C at 760 mmHg; (15)Vapour Pressure: 0.23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCC1CCC(N)CC1
(2)InChI: InChI=1/C7H16N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-5,8-9H2
(3)InChIKey: RRCZRUXYTNNVBQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H16N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-5,8-9H2
(5)Std. InChIKey: RRCZRUXYTNNVBQ-UHFFFAOYSA-N