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| CAS No.: | 20821-52-7 |
|---|---|
| Name: | 1-Benzylpiperidin-4-one hydrochloride |
| Molecular Structure: | |
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| Formula: | C12H16ClNO |
| Molecular Weight: | 225.718 |
| Synonyms: | 4-Piperidinone,1-(phenylmethyl)-, hydrochloride (9CI);4-Piperidone, 1-benzyl-, hydrochloride(6CI,8CI);1-Benzyl-4-piperidinone hydrochloride;1-Benzyl-4-piperidonehydrochloride; |
| EINECS: | 1533716-785-6 |
| Melting Point: | 159-161 °C |
| Boiling Point: | 340.4 °C at 760 mmHg |
| Flash Point: | 159.7 °C |
| PSA: | 20.31000 |
| LogP: | 2.59140 |
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Specification
The 1-Benzylpiperidin-4-one hydrochloride, with the CAS registry number 20821-52-7, is also known as 4-Piperidinone, 1-(phenylmethyl)-, hydrochloride (1:1). It belongs to the product category of Piperidines, Piperidones, Piperazines. This chemical's molecular formula is C12H16ClNO and molecular weight is 225.71. Its systematic name is called 1-benzylpiperidin-4-one hydrochloride.
Physical properties of 1-Benzylpiperidin-4-one hydrochloride: (1)ACD/LogP: 1.19; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 3; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 72; (7)#H bond acceptors: 2; (8)#Freely Rotating Bonds: 2; (9)Flash Point: 159.7 °C; (10)Enthalpy of Vaporization: 59.55 kJ/mol; (11)Boiling Point: 340.4 °C at 760 mmHg; (12)Vapour Pressure: 6.15E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C12H15NO.ClH/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
(3)InChIKey: IPFLWJCPYGCLHG-UHFFFAOYAQ