1-(1-phenylcyclohexyl)piperidine hydrochloride

• ChemBase编号: 131182
• 分子式: C17H26ClN
• 平均质量: 279.84804
• 单一同位素质量: 279.17537752
• SMILES: c1ccc(cc1)C1(CCCCC1)N1CCCCC1.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-phenylcyclohexyl)piperidine hydrochloride
• IUPAC传统名: selma hydrochloride
• 别名: 1-(1-苯基环己基)哌啶 盐酸盐; PCP 盐酸盐; 苯环利定 盐酸盐; Phencyclidine hydrochloride; 1-(1-Phenylcyclohexyl)piperidine Hydrochloride; CI 395; Elysion; GP 121; MCV 4158; NIH 9580; NSC 40902; PCP Hydrochloride; Phencyclidine Monohydrochloride; Phenylcyclidine Hydrochloride; Sernyl; Sernyl Hydrochloride; Sernylan; Phencyclidine Hydrochloride

登记号

• CAS号: 956-90-1
• MDL号: MFCD00058208
• PubChem SID: 162225460
• PubChem CID: 9795678

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: 30.727394 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: 0.1 M HCl: soluble18.4 mg/mL; H2O: soluble11.2 mg/mL; Methanol; methanol: soluble30 mg/mL
• 外观: White Solid
• 熔点: 228-230°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer
• RTECS编号: TN2272600
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25
• 安全公开号: 36/37-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: USDEA Schedule II; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

产品相关信息

• 产品质量级别: PREMIUM

详细说明

Sigma Aldrich - P3029

Biochem/physiol Actions
σ opioid receptor agonist and psychostimulant; inhibits NMDA glutamate receptor activation by binding to an allosteric site within the ion channel.

Toronto Research Chemicals - 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)