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Name |
Piperidine,3-(phenylmethyl)- |
EINECS | 237-088-7 |
CAS No. | 13603-25-3 | Density | 0.969g/cm3 |
PSA | 12.03000 | LogP | 2.55750 |
Solubility | N/A | Melting Point |
190 °C |
Formula | C12H17N | Boiling Point | 271.2 °C at 760 mmHg |
Molecular Weight | 175.274 | Flash Point | 119 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Piperidine,3-benzyl- (8CI);3-Benzylpiperidine; |
Article Data | 15 |
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