N-(1-cyclopropylethylidene)hydroxylamine

• ChemBase编号: 91430
• 分子式: C5H9NO
• 平均质量: 99.13106
• 单一同位素质量: 99.06841391
• SMILES: N(=C(\C1CC1)/C)/O
• Canonical SMILES: O/N=C(/C1CC1)\C
• InChI: InChI=1S/C5H9NO/c1-4(6-7)5-2-3-5/h5,7H,2-3H2,1H3
• InChIKey: HTMLLPBZMWBCDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-cyclopropylethylidene)hydroxylamine; (E)-N-(1-cyclopropylethylidene)hydroxylamine
• IUPAC传统名: N-(1-cyclopropylethylidene)hydroxylamine; (E)-N-(1-cyclopropylethylidene)hydroxylamine
• 别名: Cyclopropylmethylketone oxime; (E)-1-cyclopropylethanone oxime

登记号

• MDL号: MFCD00778669
• PubChem SID: 162078129
• PubChem CID: 5355375

理论计算性质

• Acid pKa: 11.052752
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.8946571
• LogD (pH = 7.4): 0.89544576
• Log P: 0.8955558
• 摩尔折射率: 27.4157 cm^3
• 极化性: 10.63469 Å^3
• 极化表面积: 32.59 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant