3-(aminomethyl)-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide hydrochloride

• ChemBase编号: 33459
• 分子式: C6H11ClN4O2
• 平均质量: 206.63014
• 单一同位素质量: 206.05705329
• SMILES: c1(nc(no1)CN)C(=O)N(C)C.Cl
• Canonical SMILES: NCc1noc(n1)C(=O)N(C)C.Cl
• InChI: InChI=1S/C6H10N4O2.ClH/c1-10(2)6(11)5-8-4(3-7)9-12-5;/h3,7H2,1-2H3;1H
• InChIKey: KAFKGNPLKLJVQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(aminomethyl)-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide hydrochloride
• IUPAC传统名: 3-(aminomethyl)-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide hydrochloride
• 别名: 3-(Aminomethyl)-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide hydrochloride

登记号

• MDL号: MFCD12026802
• PubChem SID: 160996766
• PubChem CID: 46736912

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.5940762
• LogD (pH = 7.4): -1.1488535
• Log P: -0.9606219
• 摩尔折射率: 43.0072 cm^3
• 极化性: 15.473434 Å^3
• 极化表面积: 85.25 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false