1-[(3R,5S,7s)-adamantan-1-yl](2H4)ethan-1-amine hydrochloride

• ChemBase编号: 177551
• 分子式: C12H22ClN
• 平均质量: 215.76278
• 单一同位素质量: 215.14407739
• SMILES: C1C2(C[C@@H]3C[C@@H]1C[C@@H](C2)C3)C(N)C.Cl
• Canonical SMILES: CC(C12C[C@@H]3C[C@@H](C2)C[C@H](C1)C3)N.Cl
• InChI: InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H/t8?,9-,10+,11-,12?
• InChIKey: OZBDFBJXRJWNAV-LHRDWUBSSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(3R,5S,7s)-adamantan-1-yl](^2H₄)ethan-1-amine hydrochloride
• IUPAC传统名: 1-[(3R,5S,7s)-adamantan-1-yl](^2H₄)ethanamine hydrochloride
• 别名: α-Methyltricyclo[3.3.1.13,7]decane-1-methanamine-d3 Hydrochloride; Flumadine-d3; Meradane-d3; Roflual-d3; Rimantadine-d4 Hydrochloride

登记号

• PubChem SID: 164233461
• PubChem CID: 46782888

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.8055685
• LogD (pH = 7.4): -0.34652156
• Log P: 2.2170057
• 摩尔折射率: 54.5221 cm^3
• 极化性: 22.19729 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: >300°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - R517002

Used as an antiviral agent.

参考文献

• Hayden, F.G., et al.: Antimicrob. Ag. Chemother., 19, 226 (1981)
• Zlydnikov, D.M., et al.: Rev. Infect. Dis., 3, 408 (1981)