2-amino-2-phenylacetic acid

• ChemBase编号: 69708
• 分子式: C8H9NO2
• 平均质量: 151.16256
• 单一同位素质量: 151.06332853
• SMILES: C(=O)(C(c1ccccc1)N)O
• Canonical SMILES: NC(c1ccccc1)C(=O)O
• InChI: InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)
• InChIKey: ZGUNAGUHMKGQNY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-2-phenylacetic acid
• IUPAC传统名: (+/-)-α-phenylglycine
• 别名: DL-α-苯基甘氨酸; (±)-α-氨基苯基乙酸; DL-α-苯基甘氨酸; 2-苯基甘氨酸; DL-1-苯基甘氨酸; DL-α-Phenylglycine; (±)-α-Aminophenylacetic acid; DL-α-Phenylglycine; 2-Phenylglycine; 2-amino-2-phenylacetic acid; DL-Alpha-Phenylglycine; DL-α-Aminophenylacetic acid; 2-Phenylglycine; DL-α-PHENYLGLYCINE; (+/-)-alpha-Aminophenylacetic acid; H-DL-Phg-OH; DL-2-Phenylglycine

登记号

• CAS号: 2835/6/5; 2835-06-5
• EC号: 220-608-1
• MDL号: MFCD00064402
• Beilstein号: 3197862
• 默克索引号: 147291
• PubChem SID: 24898337; 162035433
• PubChem CID: 3866

理论计算性质

• Acid pKa: 2.2288363
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.4721358
• LogD (pH = 7.4): -1.4860865
• Log P: -1.4724004
• 摩尔折射率: 40.3613 cm^3
• 极化性: 16.044256 Å^3
• 极化表面积: 63.32 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

• 熔点: 290 °C (subl.)(lit.); ca 290°C subl.
• 疏水性(logP): -1.695

安全信息

• 保存注意事项: IRRITANT
• 德国WGK号: 3
• TSCA收录: false; 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (NT); 95%; 95+%; 98%
• 级别: purum
• 线性分子式: C6H5CH(NH2)COOH

详细说明

MP Biomedicals - 02151833

Crystalline

Sigma Aldrich - P25507

包装
10, 100 g in poly bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. P25507.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.