3-Piperidinamine,N-phenyl- (100240-05-9)

The N-Phenyl-3-piperidinamine, with the CAS registry number 100240-05-9, is also called 3-phenylaminopiperidine. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₁H₁₆N₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): -0.56; (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): 1.22; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 55.63 cm³; (15)Molar Volume: 167.4 cm³; (16)Polarizability: 22.05×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.052 g/cm³; (19)Flash Point: 185.3 °C; (20)Enthalpy of Vaporization: 55.3 kJ/mol; (21)Boiling Point: 312 °C at 760 mmHg; (22)Vapour Pressure: 0.000543 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c2c(NC1CCCNC1)cccc2
(2)InChI: InChI=1/C11H16N2/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-3,5-6,11-13H,4,7-9H2
(3)InChIKey: JQDNZFYQBNCCRO-UHFFFAOYAD