N-{1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene}hydroxylamine

• ChemBase编号: 79489
• 分子式: C10H17NO
• 平均质量: 167.24808
• 单一同位素质量: 167.13101417
• SMILES: N(=C\1/C2(C(C(C1)CC2)(C)C)C)/O
• Canonical SMILES: O/N=C\1/CC2C(C1(C)CC2)(C)C
• InChI: InChI=1S/C10H17NO/c1-9(2)7-4-5-10(9,3)8(6-7)11-12/h7,12H,4-6H2,1-3H3
• InChIKey: OVFDEGGJFJECAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene}hydroxylamine
• IUPAC传统名: N-{1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene}hydroxylamine
• 别名: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime

登记号

• CAS号: 13559-66-5
• MDL号: MFCD00210161
• PubChem SID: 162044252
• PubChem CID: 5354197

理论计算性质

• Acid pKa: 11.5069475
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.5623462
• LogD (pH = 7.4): 2.5624301
• Log P: 2.5624654
• 摩尔折射率: 48.3137 cm^3
• 极化性: 19.10823 Å^3
• 极化表面积: 32.59 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true