Benzenemethanamine,4-cyclopropyl- (118184-67-1)

The 4-Cyclopropylbenzylamine, with the CAS registry number 118184-67-1, has the systematic name of 1-(4-cyclopropylphenyl)methanamine. The molecular formula of the chemical is C₁₀H₁₃N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.12; (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): 3.32; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.02 Å²; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 46.73 cm³; (14)Molar Volume: 137.4 cm³; (15)Polarizability: 18.52×10^-24cm³; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.071 g/cm³; (18)Flash Point: 117.7 °C; (19)Enthalpy of Vaporization: 50.04 kJ/mol; (20)Boiling Point: 262.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0108 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCc1ccc(cc1)C2CC2
(2)InChI: InChI=1/C10H13N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7,11H2
(3)InChIKey: XHGPNIFDHYUTOE-UHFFFAOYAR