2-amino-2-phenylethan-1-ol

• ChemBase编号: 78254
• 分子式: C8H11NO
• 平均质量: 137.17904
• 单一同位素质量: 137.08406398
• SMILES: OCC(c1ccccc1)N
• Canonical SMILES: OCC(c1ccccc1)N
• InChI: InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
• InChIKey: IJXJGQCXFSSHNL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-2-phenylethan-1-ol
• IUPAC传统名: 2-amino-2-phenylethanol
• 别名: β-Aminobenzeneethanol; β-Aminophenethyl Alcohol; (RS)-Phenylglycinol; (±)-2-Amino-2-phenylethanol; (±)-Phenylglycinol; 2-Amino-2-phenylethanol; 2-Hydroxy-1-phenylethylamine; 2-Phenyl-2-aminoethanol; DL-α-Phenylglycinol; Phenylglycinol; α-(Hydroxymethyl)benzylamine; DL-Phenylglycinol; 2-Amino-2-phenylethanol; 2-Amino-2-phenylethan-1-ol; DL-Phenylglycinol; beta-Aminophenethyl alcohol

登记号

• CAS号: 7568-92-5
• MDL号: MFCD00130145
• PubChem SID: 162043039
• PubChem CID: 92466

理论计算性质

• Acid pKa: 15.034467
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.4697678
• LogD (pH = 7.4): -1.2631787
• Log P: 0.4686793
• 摩尔折射率: 40.4939 cm^3
• 极化性: 16.162655 Å^3
• 极化表面积: 46.25 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: Chloroform; Methanol
• 外观: White to Off-White Solid
• 熔点: 51-54°C; 53-58°C
• 沸点: 261°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Corrosive

产品相关信息

• 纯度: 95+%; 97%

详细说明

Toronto Research Chemicals - P327290

A chiral arylalkylamine used as organocatalysts. Used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid.

参考文献

• Whang, M. et al.: J. Indust. Engin. Chem., 8, 262 (2002)