(3R)-5-methyl-1,2,4,5-tetrahydrospiro[2-benzazepine-3,1'-cyclopentane] hydrochloride

• ChemBase编号: 118930
• 分子式: C15H22ClN
• 平均质量: 251.79488
• 单一同位素质量: 251.14407739
• SMILES: N1C2(CC(c3c(C1)cccc3)C)CCCC2.Cl
• Canonical SMILES: CC1CC2(CCCC2)NCc2c1cccc2.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-12-10-15(8-4-5-9-15)16-11-13-6-2-3-7-14(12)13;/h2-3,6-7,12,16H,4-5,8-11H2,1H3;1H
• InChIKey: JNHWHWFAHGPJPO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3R)-5-methyl-1,2,4,5-tetrahydrospiro[2-benzazepine-3,1'-cyclopentane] hydrochloride
• IUPAC传统名: (3R)-5-methyl-1,2,4,5-tetrahydrospiro[2-benzazepine-3,1'-cyclopentane] hydrochloride
• 别名: 5-methyl-1,2,4,5-tetrahydrospiro[benzo[c]azepine-3,1'-cyclopentane] hydrochloride

登记号

• PubChem SID: 162107360
• PubChem CID: 2858271

理论计算性质

• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.35450238
• LogD (pH = 7.4): 0.9174386
• Log P: 3.5815415
• 摩尔折射率: 68.068 cm^3
• 极化性: 26.951149 Å^3
• 极化表面积: 12.03 Å^2

分子性质

产品相关信息

• 成盐信息: HCl