[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanamine hydrochloride

• ChemBase编号: 181176
• 分子式: C10H20ClN
• 平均质量: 189.7255
• 单一同位素质量: 189.12842733
• SMILES: [C@H]1(C([C@@H]1CN)(C)C)C=C(C)C.Cl
• Canonical SMILES: NC[C@@H]1[C@@H](C1(C)C)C=C(C)C.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-7(2)5-8-9(6-11)10(8,3)4;/h5,8-9H,6,11H2,1-4H3;1H/t8-,9+;/m0./s1
• InChIKey: XJFLBRKBLOXNRE-OULXEKPRSA-N

名称和登记号

名称

• IUPAC标准名: [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanamine hydrochloride
• IUPAC传统名: [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanamine hydrochloride

登记号

• PubChem SID: 164237086
• PubChem CID: 52993159

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.2237854
• LogD (pH = 7.4): -0.791891
• Log P: 1.7997806
• 摩尔折射率: 50.0337 cm^3
• 极化性: 19.754925 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HCl
• 分类: Rare Derivatives of Natural Compounds