{6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride

• ChemBase编号: 245298
• 分子式: C12H24Cl2N2
• 平均质量: 267.23836
• 单一同位素质量: 266.13165414
• SMILES: C12(CC1CNCC1CC1)CCNCC2.Cl.Cl
• Canonical SMILES: N(CC1CC1)CC1CC21CCNCC2.Cl.Cl
• InChI: InChI=1S/C12H22N2.2ClH/c1-2-10(1)8-14-9-11-7-12(11)3-5-13-6-4-12;;/h10-11,13-14H,1-9H2;2*1H
• InChIKey: YSMBEYWRHPHYLC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride
• IUPAC传统名: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride
• 别名: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine dihydrochloride

登记号

• MDL号: MFCD23144033
• PubChem SID: 164301208
• PubChem CID: 71757681

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -5.654011
• LogD (pH = 7.4): -4.9668155
• Log P: 0.81539804
• 摩尔折射率: 58.8313 cm^3
• 极化性: 23.718283 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.0

产品相关信息

• 纯度: 95%