cyclobutanecarbohydrazide

• ChemBase编号: 34628
• 分子式: C5H10N2O
• 平均质量: 114.1457
• 单一同位素质量: 114.07931295
• SMILES: C1CCC1C(=O)NN
• Canonical SMILES: NNC(=O)C1CCC1
• InChI: InChI=1S/C5H10N2O/c6-7-5(8)4-2-1-3-4/h4H,1-3,6H2,(H,7,8)
• InChIKey: KYUUPPKLZSVGMG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclobutanecarbohydrazide
• IUPAC传统名: cyclobutanecarbohydrazide
• 别名: Cyclobutanecarbohydrazide; Cyclobutanecarbohydrazide

登记号

• CAS号: 98069-56-8
• MDL号: MFCD03129354
• PubChem SID: 160997935
• PubChem CID: 969366

理论计算性质

• Acid pKa: 13.092432
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.10491442
• LogD (pH = 7.4): -0.10243177
• Log P: -0.10239913
• 摩尔折射率: 30.9502 cm^3
• 极化性: 11.862813 Å^3
• 极化表面积: 55.12 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 91 - 93°C
• 疏水性(logP): -0.711

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 25
• 安全公开号: 45
• TSCA收录: false
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C5H10N2O

详细说明

Sigma Aldrich - CBR00212

Other Notes
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Legal Information
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