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| CAS No.: | 32838-55-4 |
|---|---|
| Name: | 2-BENZYLPIPERIDINE |
| Molecular Structure: | |
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| Formula: | C12H17N |
| Molecular Weight: | 175.274 |
| Synonyms: | Piperidine,2-benzyl- (7CI,8CI); |
| EINECS: | 251-255-1 |
| Density: | 0.969 g/cm3 |
| Melting Point: | 32°C |
| Boiling Point: | 267.5 °C at 760 mmHg |
| Flash Point: | 116.129 °C |
| PSA: | 12.03000 |
| LogP: | 2.70000 |
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- Total:28 Page 1 of 1 1
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Specification
The Piperidine,2-(phenylmethyl)-, with the CAS registry number 32838-55-4, is also known as Piperidine,2-benzyl- (7CI,8CI). It belongs to the product category of Pharmacetical. Its EINECS registry number is 251-255-1. This chemical's molecular formula is C12H17N and molecular weight is 175.27. What's more, its IUPAC name and systematic name are the same which is called 2-Benzylpiperidine.
Physical properties about Piperidine,2-(phenylmethyl)-: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.06; (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)Surface Tension: 36.4 dyne/cm; (17)Density: 0.969 g/cm3; (18)Flash Point: 116.1 °C; (19)Enthalpy of Vaporization: 50.55 kJ/mol; (20)Boiling Point: 267.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00812 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cccc1)CC2NCCCC2
(2) InChI: InChI=1/C12H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-7,12-13H,4-5,8-10H2
(3) InChIKey: ITXCORRITGNIHP-UHFFFAOYAB
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 195mg/kg (195mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 227, Pg. 129, 1955. |