(1s,4s)-4-aminocyclohexan-1-ol hydrochloride

• ChemBase编号: 74466
• 分子式: C6H14ClNO
• 平均质量: 151.63446
• 单一同位素质量: 151.07639175
• SMILES: O[C@@H]1CC[C@@H](CC1)N.Cl
• Canonical SMILES: N[C@@H]1CC[C@@H](CC1)O.Cl
• InChI: InChI=1S/C6H13NO.ClH/c7-5-1-3-6(8)4-2-5;/h5-6,8H,1-4,7H2;1H/t5-,6+
• InChIKey: RKTQEVMZBCBOSB-KNCHESJLSA-N

名称和登记号

名称

• IUPAC标准名: (1s,4s)-4-aminocyclohexan-1-ol hydrochloride
• IUPAC传统名: (1s,4s)-4-aminocyclohexan-1-ol hydrochloride
• 别名: cis-4-Hydroxycyclohexylamine Hydrochloride; cis-4-Aminocyclohexanol Hydrochloride; trans-1-Amino-4-hydroxycyclohexane hydrochloride; trans-4-Hydroxycyclohexylamine hydrochloride; trans-4-Aminocyclohexan-1-ol hydrochloride

登记号

• CAS号: 50910-54-8; 56239-26-0
• MDL号: MFCD00012566
• PubChem SID: 162039385
• PubChem CID: 522619

理论计算性质

• Acid pKa: 15.25663
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.2356453
• LogD (pH = 7.4): -2.7809699
• Log P: -0.21290687
• 摩尔折射率: 32.6025 cm^3
• 极化性: 13.196873 Å^3
• 极化表面积: 46.25 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 225-227°C

安全信息

• 保存注意事项: Irritant/Hygroscopic

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - A603695

cis-4-Aminocyclohexanol used in the preparation of potential hypertensive agents and other biologically active compounds.

参考文献

• Chan, K.L. et al.: As. J. Pharmacol. Sci., 1, 91 (1979)