methyl[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]amine

• ChemBase编号: 90383
• 分子式: C12H14N2O
• 平均质量: 202.25236
• 单一同位素质量: 202.11061308
• SMILES: o1c(c(nc1c1ccccc1)C)CNC
• Canonical SMILES: CNCc1oc(nc1C)c1ccccc1
• InChI: InChI=1S/C12H14N2O/c1-9-11(8-13-2)15-12(14-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
• InChIKey: XCBYKJIAOCVNGY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]amine
• IUPAC传统名: methyl[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]amine
• 别名: N-methyl-(4-methyl-2-phenyl-1,3-oxazol-5-ylmethyl)amine; N-Methyl-1-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methylamine; 5-[(Methylamino)methyl]-4-methyl-2-phenyl-1,3-oxazole 97%

登记号

• CAS号: 1031843-28-3
• MDL号: MFCD11109322
• PubChem SID: 162077196
• PubChem CID: 33589464

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.2260743
• LogD (pH = 7.4): 0.45934066
• Log P: 1.5496275
• 摩尔折射率: 69.586 cm^3
• 极化性: 23.569616 Å^3
• 极化表面积: 38.06 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: 97%