N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride

• ChemBase编号: 269854
• 分子式: C15H22ClN
• 平均质量: 251.79488
• 单一同位素质量: 251.14407739
• SMILES: c12c(ccc(c1)CNC1CCCC1)CCC2.Cl
• Canonical SMILES: C1CCC(C1)NCc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-2-7-15(6-1)16-11-12-8-9-13-4-3-5-14(13)10-12;/h8-10,15-16H,1-7,11H2;1H
• InChIKey: CVWYSDCFTFJKBS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride
• IUPAC传统名: N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride
• 别名: N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopentanamine hydrochloride

登记号

• MDL号: MFCD17167161
• PubChem SID: 164325764
• PubChem CID: 50988041

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.67067695
• LogD (pH = 7.4): 1.3043203
• Log P: 3.8939822
• 摩尔折射率: 68.6004 cm^3
• 极化性: 26.869442 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 167 - 169°C
• 疏水性(logP): 3.995

产品相关信息

• 纯度: 95%