Piperidine,3-(phenylmethyl)- supplier

Name
3-BENZYLPIPERIDINE
EINECS 237-088-7
CAS No. 13603-25-3
Article Data15
CAS DataBase
Density 0.969g/cm³
Solubility
Melting Point 190 °C
Formula C₁₂H₁₇N
Boiling Point 271.2 °C at 760 mmHg
Molecular Weight 175.274
Flash Point 119 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Piperidine,3-benzyl- (8CI);3-Benzylpiperidine;
PSA 12.03000
LogP 2.55750

Piperidine,3-(phenylmethyl)- Specification

The Piperidine,3-(phenylmethyl)-, with CAS registry number 13603-25-3, belongs to the following product category: Pharmacetical. It has the systematic name of 3-benzylpiperidine. Besides this, it is also called Piperidine,3-benzyl- (8CI). And the chemical formula of this chemical is C₁₂H₁₇N.

Physical properties of Piperidine,3-(phenylmethyl)-: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.12; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 55.57 cm³; (15)Molar Volume: 180.7 cm³; (16)Polarizability: 22.03×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 0.969 g/cm³; (19)Flash Point: 119 °C; (20)Enthalpy of Vaporization: 50.95 kJ/mol; (21)Boiling Point: 271.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00652 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)CC2CCCNC2
(2)InChI: InChI=1/C12H17N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2
(3)InChIKey: BKDMXVREWXKZLB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H17N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2
(5)Std. InChIKey: BKDMXVREWXKZLB-UHFFFAOYSA-N

Product Name

3-BENZYLPIPERIDINE

Piperidine,3-(phenylmethyl)- Specification

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