4',4'-dimethyl-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride

• ChemBase编号: 246507
• 分子式: C15H22ClN
• 平均质量: 251.79488
• 单一同位素质量: 251.14407739
• SMILES: C12(CC1CN)c1c(C(CC2)(C)C)cccc1.Cl
• Canonical SMILES: NCC1CC21CCC(c1c2cccc1)(C)C.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-14(2)7-8-15(9-11(15)10-16)13-6-4-3-5-12(13)14;/h3-6,11H,7-10,16H2,1-2H3;1H
• InChIKey: AONYNFNWAPPIHR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4',4'-dimethyl-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride
• IUPAC传统名: 4',4'-dimethyl-2',3'-dihydrospiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride
• 别名: 4',4'-dimethyl-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-ylmethanamine hydrochloride

登记号

• PubChem SID: 164302417
• PubChem CID: 71758010

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.06258513
• LogD (pH = 7.4): 0.46180943
• Log P: 2.957319
• 摩尔折射率: 67.8432 cm^3
• 极化性: 26.870565 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

• 疏水性(logP): 3.698

产品相关信息

• 纯度: 95%