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

• ChemBase编号: 246462
• 分子式: C14H20ClN
• 平均质量: 237.7683
• 单一同位素质量: 237.12842733
• SMILES: C12(CC1N)c1c(C(CC2)(C)C)cccc1.Cl
• Canonical SMILES: NC1CC21CCC(c1c2cccc1)(C)C.Cl
• InChI: InChI=1S/C14H19N.ClH/c1-13(2)7-8-14(9-12(14)15)11-6-4-3-5-10(11)13;/h3-6,12H,7-9,15H2,1-2H3;1H
• InChIKey: WNMSROYTWIWHBY-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-amine hydrochloride
• IUPAC传统名: 4',4'-dimethyl-2',3'-dihydrospiro[cyclopropane-1,1'-naphthalene]-3-amine hydrochloride
• 别名: 4',4'-dimethyl-3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-amine hydrochloride

登记号

• MDL号: MFCD23144305
• PubChem SID: 164302372
• PubChem CID: 71758001

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.16369097
• LogD (pH = 7.4): 0.9403888
• Log P: 2.7982137
• 摩尔折射率: 62.9584 cm^3
• 极化性: 25.02279 Å^3
• 极化表面积: 26.02 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

• 疏水性(logP): 3.459

产品相关信息

• 纯度: 95%