1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride

• ChemBase编号: 286133
• 分子式: C10H16ClN3O
• 平均质量: 229.70654
• 单一同位素质量: 229.09818983
• SMILES: n1c(noc1C1CC1)C1(N)CCCC1.Cl
• Canonical SMILES: NC1(CCCC1)c1noc(n1)C1CC1.Cl
• InChI: InChI=1S/C10H15N3O.ClH/c11-10(5-1-2-6-10)9-12-8(14-13-9)7-3-4-7;/h7H,1-6,11H2;1H
• InChIKey: PAMOQZZCYCWFLR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride
• IUPAC传统名: 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride
• 别名: 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine hydrochloride

登记号

• MDL号: MFCD21602714
• PubChem SID: 180671664
• PubChem CID: 72154817

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.8691795
• LogD (pH = 7.4): 0.8597132
• Log P: 1.6287651
• 摩尔折射率: 52.9511 cm^3
• 极化性: 20.174221 Å^3
• 极化表面积: 64.94 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 237 - 239°C
• 疏水性(logP): 0.621

产品相关信息

• 纯度: 95%