1-[1-(2H5)phenylcyclohexyl]piperidine hydrochloride

• ChemBase编号: 176447
• 分子式: C17H26ClN
• 平均质量: 279.84804
• 单一同位素质量: 279.17537752
• SMILES: c1(C2(N3CCCCC3)CCCCC2)ccccc1.Cl
• Canonical SMILES: C1CCC(CC1)(N1CCCCC1)c1ccccc1.Cl
• InChI: InChI=1S/C17H25N.ClH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H
• InChIKey: BUAJNGPDPGKBGV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[1-(^2H₅)phenylcyclohexyl]piperidine hydrochloride
• IUPAC传统名: 1-[1-(^2H₅)phenylcyclohexyl]piperidine hydrochloride
• 别名: 1-[1-(Phenyl-d5)cyclohexyl]piperidine Hydrochloride; CI 395-d5; Elysion-d5; GP 121-d5; MCV 4158-d5; NIH 9580-d5; NSC 40902-d5; PCP Hydrochloride-d5; Phencyclidine-d5 Monohydrochloride; Phenylcyclidine-d5 Hydrochloride; Sernyl-d5; Sernyl-d5 Hydrochloride; Sernylan-d5; Phencyclidine-d5 Hydrochloride

登记号

• CAS号: 60124-79-0
• PubChem SID: 164232357
• PubChem CID: 71751566

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.996464
• LogD (pH = 7.4): 1.4359076
• Log P: 4.488048
• 摩尔折射率: 77.6465 cm^3
• 极化性: 30.750978 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: 226-228°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - P295502

Labelled Phencyclidine (P295500). Anesthetic (intravenous). Controlled substance (depressant).

参考文献

• Chen, G., et al.: J. Pharmacol. Exp. Ther., 127, 241 (1959)
• Bailey, K., et al.: J. Pharm. Pharmacol., 28, 713 (1959)
• Balster, R.L., J. Psychedelic Drugs., 10115 (1959)
• Johnson, K.M., et al.: Annu. Rev. Pharmacol. Toxicol., 30, 707 (1959)