methyl({[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl})amine

• ChemBase编号: 77445
• 分子式: C11H13N3O
• 平均质量: 203.24042
• 单一同位素质量: 203.10586205
• SMILES: N(Cc1cc(ccc1)c1nc(no1)C)C
• Canonical SMILES: CNCc1cccc(c1)c1onc(n1)C
• InChI: InChI=1S/C11H13N3O/c1-8-13-11(15-14-8)10-5-3-4-9(6-10)7-12-2/h3-6,12H,7H2,1-2H3
• InChIKey: FWMVARCHFJQGJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl})amine
• IUPAC传统名: methyl({[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl})amine
• 别名: N-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzylamine; 3-Methyl-5-{3-[(methylamino)methyl]phenyl}-1,2,4-oxadiazole 95%; N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzylamine

登记号

• CAS号: 921938-59-2
• MDL号: MFCD09817473
• PubChem SID: 162042317
• PubChem CID: 24229501

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.4148772
• LogD (pH = 7.4): -0.2978339
• Log P: 1.8810043
• 摩尔折射率: 69.6481 cm^3
• 极化性: 22.681656 Å^3
• 极化表面积: 50.95 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 95%