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| CAS No.: | 5807-81-8 |
|---|---|
| Name: | 2-Diphenylmethylpiperidine hydrochloride |
| Molecular Structure: | |
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| Formula: | C18H21N·HCl |
| Molecular Weight: | 287.83 |
| Synonyms: | Piperidine, 2-(diphenylmethyl)-, hydrochloride (6CI,8CI,9CI);2-Diphenylmethylpiperidine hydrochloride; |
| EINECS: | 200-659-6 |
| Melting Point: | 287 °C |
| Boiling Point: | 396.4 °C at 760 mmHg |
| Flash Point: | 193.6 °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 7-16-36/37-45 |
| PSA: | 12.03000 |
| LogP: | 5.09140 |
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Specification
The 2-Diphenylmethylpiperidine hydrochloride, with the CAS registry number 5807-81-8, is also known as Piperidine, 2-(diphenylmethyl)-, hydrochloride (1:1). This chemical's molecular formula is C18H21N·HCl and molecular weight is 287.83. What's more, its systematic name is 2-(Diphenylmethyl)piperidine hydrochloride (1:1).
Physical properties of 2-Diphenylmethylpiperidine hydrochloride are: (1)ACD/LogP: 4.462; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.56; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 12.03 Å2; (9)Flash Point: 193.6 °C; (10)Enthalpy of Vaporization: 65.93 kJ/mol; (11)Boiling Point: 396.4 °C at 760 mmHg; (12)Vapour Pressure: 1.13E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.c1ccccc1C(C2CCCCN2)c3ccccc3
(2)Std. InChI: InChI=1S/C18H21N.ClH/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17;/h1-6,9-12,17-19H,7-8,13-14H2;1H
(3)Std. InChIKey: NTADPDIPKMRRQV-UHFFFAOYSA-N