N-hydroxybutanamide

• ChemBase编号: 155061
• 分子式: C4H9NO2
• 平均质量: 103.11976
• 单一同位素质量: 103.06332853
• SMILES: CCCC(=O)NO
• Canonical SMILES: CCCC(=O)NO
• InChI: InChI=1S/C4H9NO2/c1-2-3-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
• InChIKey: CCBCHURBDSNSTJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-hydroxybutanamide
• IUPAC传统名: N-hydroxybutanamide
• 别名: N-hydroxybutanamide; Butyrylhydroxamic acid; N-hydroxybutanamide

登记号

• CAS号: 4312-91-8
• MDL号: MFCD09931604
• PubChem SID: 162249199
• PubChem CID: 419176

理论计算性质

• Acid pKa: 8.907644
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.11146541
• LogD (pH = 7.4): 0.09840901
• Log P: 0.111634456
• 摩尔折射率: 25.4584 cm^3
• 极化性: 9.982835 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: ≥25 mg/mL
• 外观: white to tan powder
• 疏水性(logP): -0.536

安全信息

• 保存条件: desiccated
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC); 95%
• 运输包装: wet ice
• Empirical Formula (Hill Notation): C4H9NO2

详细说明

Sigma Aldrich - SML0027

Biochem/physiol Actions
Butyryl hydroxamic acid is a cell permeable HDAC inhibitor. Butyryl hydroxamic acid has similar potency against class I HDAC family members as 4-Phenylbutyryl hydroxamic acid (SML0026), but is approximately 5-10 fold less potent against class IIa enzymes than 4-Phenylbutyryl hydroxamic acid.