methyl[(5-methyl-1,2-oxazol-3-yl)methyl]amine

• ChemBase编号: 30763
• 分子式: C6H10N2O
• 平均质量: 126.1564
• 单一同位素质量: 126.07931295
• SMILES: n1oc(cc1CNC)C
• Canonical SMILES: CNCc1noc(c1)C
• InChI: InChI=1S/C6H10N2O/c1-5-3-6(4-7-2)8-9-5/h3,7H,4H2,1-2H3
• InChIKey: RHCMPOAWANNSSR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(5-methyl-1,2-oxazol-3-yl)methyl]amine
• IUPAC传统名: methyl[(5-methyl-1,2-oxazol-3-yl)methyl]amine
• 别名: N-methyl-1-(5-methyl-3-isoxazolyl)methanamine; N,5-dimethylisoxazol-3-ylmethylamine; Methyl-(5-methyl-isoxazol-3-ylmethyl)-amine; N-methyl-N-[(5-methylisoxazol-3-yl)methyl]amine

登记号

• CAS号: 886851-25-8
• MDL号: MFCD08701270
• PubChem SID: 160994070
• PubChem CID: 23006273

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.1649213
• LogD (pH = 7.4): -0.4402809
• Log P: 0.17717326
• 摩尔折射率: 35.3755 cm^3
• 极化性: 13.288211 Å^3
• 极化表面积: 38.06 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

• 疏水性(logP): -0.242

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 97%