2-(aminomethyl)phenol

• ChemBase编号: 12206
• 分子式: C7H9NO
• 平均质量: 123.15246
• 单一同位素质量: 123.06841391
• SMILES: c1(c(cccc1)CN)O
• Canonical SMILES: NCc1ccccc1O
• InChI: InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2
• InChIKey: KPRZOPQOBJRYSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(aminomethyl)phenol
• IUPAC传统名: 2-(aminomethyl)phenol
• 别名: 2-(Aminomethyl)phenol; α-Amino-o-cresol; 2-(Aminomethyl)phenol; 2-Hydroxybenzenemethanamine; NSC 127870; Salicylamine; o-Hydroxybenzylamine; 2-Hydroxybenzylamine; 2-Hydroxybenzylamine; (2-Hydroxyphenyl)methylamine

登记号

• CAS号: 932-30-9
• MDL号: MFCD00870498
• PubChem SID: 160975513
• PubChem CID: 70267

理论计算性质

• Acid pKa: 8.32269
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.154139
• LogD (pH = 7.4): -1.0316718
• Log P: -0.18066746
• 摩尔折射率: 36.5123 cm^3
• 极化性: 14.301682 Å^3
• 极化表面积: 46.25 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: 125-126°C; 126 - 128°C; 126-129°C
• 疏水性(logP): 0.377

安全信息

• 保存注意事项: Irritant/Store under Argon
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%

详细说明

Toronto Research Chemicals - H809725

A potent γ-ketoaldehyde scavenger that has been shown to protects cardiac sodium channel (NaV1.5) from oxidant-induced inactivation

参考文献

• Zagol-Ikapitte, I. et al.: Pharmaceutics, 2, 18 (2010)
• Nakajima, T. et al.: J. Mol. Cell. Cardiol., 48, 352 (2010)
• Davies, S.S. et al.: Biochem., 45, 15756 (2010)