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63921-21-1

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Basic Information
CAS No.: 63921-21-1
Name: 1-Phenylpiperidin-3-amine
Article Data: 3
Molecular Structure:
Molecular Structure of 63921-21-1 (1-Phenylpiperidin-3-amine)
Formula: C11H16N2
Molecular Weight: 176.261
Synonyms: 3-piperidinamine, 1-phenyl-;1-Phenyl-3-piperidinamine;
Density: 1.041 g/cm3
Boiling Point: 294.8 °C at 760 mmHg
Flash Point: 117.5 °C
PSA: 29.26000
LogP: 2.37940
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Specification

The 1-Phenylpiperidin-3-amine, with the CAS registry number 63921-21-1, is also called 3-piperidinamine, 1-phenyl-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H16N2.

The characteristics of 1-Phenylpiperidin-3-amine are as followings: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 54.62 cm3; (15)Molar Volume: 169.2 cm3; (16)Polarizability: 21.65×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.041 g/cm3; (19)Flash Point: 117.5 °C; (20)Enthalpy of Vaporization: 53.44 kJ/mol; (21)Boiling Point: 294.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00159 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1)N2CCCC(N)C2
(2)InChI: InChI=1/C11H16N2/c12-10-5-4-8-13(9-10)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,12H2
(3)InChIKey: OXQYZZQHIINDCG-UHFFFAOYAV