N-ethyl-2,2-dimethyloxan-4-amine

• ChemBase编号: 308717
• 分子式: C9H19NO
• 平均质量: 157.25326
• 单一同位素质量: 157.14666423
• SMILES: C1(OCCC(C1)NCC)(C)C
• Canonical SMILES: CCNC1CCOC(C1)(C)C
• InChI: InChI=1S/C9H19NO/c1-4-10-8-5-6-11-9(2,3)7-8/h8,10H,4-7H2,1-3H3
• InChIKey: CHHKBQOLWAUFPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2,2-dimethyloxan-4-amine
• IUPAC传统名: N-ethyl-2,2-dimethyloxan-4-amine
• 别名: (2,2-dimethyltetrahydro-2H-pyran-4-yl)ethylamine

登记号

• CAS号: 1060817-65-3
• MDL号: MFCD11054008

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.4121006
• LogD (pH = 7.4): -2.03753
• Log P: 0.8222673
• 摩尔折射率: 46.9745 cm^3
• 极化性: 18.799707 Å^3
• 极化表面积: 21.26 Å^2