2-amino-1-phenylethan-1-ol

• ChemBase编号: 92964
• 分子式: C8H11NO
• 平均质量: 137.17904
• 单一同位素质量: 137.08406398
• SMILES: NCC(c1ccccc1)O
• Canonical SMILES: NCC(c1ccccc1)O
• InChI: InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
• InChIKey: ULSIYEODSMZIPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-1-phenylethan-1-ol
• IUPAC传统名: β-phenylethanolamine; phenylethanolamine; β phenylethanolamine
• 别名: α-(氨基甲基)苄醇; 苯基乙醇胺; 2-氨基-1-苯乙醇; 2-氨基-1-苯乙醇; DL-β-羟基苯乙胺; DL-β-Hydroxyphenethylamine; α-(Aminomethyl)benzyl alcohol; 2-Amino-1-phenylethanol; Phenylethanolamine; α-(Aminomethyl)benzenemethanol; Bisnorephedrine; (RS)-2-Amino-1-phenylethanol; (±)-1-Phenylethanolamine; (±)-2-Amino-1-phenylethanol; (±)-Phenylethanolamine; (±)-α-Phenylglycinol; β-Hydroxyphenylethylamine; β-Phenethanolamine; DL-Phenylethanolamine; beta-Hydroxyphenethylamine; 2-Amino-1-phenylethan-1-ol; alpha-(Aminomethyl)benzyl alcohol 98%; 2-Amino-1-phenylethanol; Phenylethanolamine; DL-β-HYDROXYPHENETHYLAMINE; DL-β-Hydroxyphenethylamine; 2-AMino-1-phenylethanol

登记号

• CAS号: 7568-93-6
• EC号: 231-469-1
• MDL号: MFCD00008137
• Beilstein号: 971222
• PubChem SID: 24846258; 24891194; 162079662
• PubChem CID: 1000
• CHEBI ID: 16343
• CHEMBL: 19216
• Chemspider ID: 975
• KEGG ID: C02735
• 维基百科标题: Phenylethanolamine

理论计算性质

• Acid pKa: 14.128325
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.4663498
• LogD (pH = 7.4): -1.2471365
• Log P: 0.4686793
• 摩尔折射率: 40.4939 cm^3
• 极化性: 16.16097 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; soluble in water
• 外观: pale yellow solid; Pale Yellow Solid
• 熔点: 56-57°C; 56-58 °C(lit.); 56-58°C; 57-59°C
• 沸点: 157-160°C at 17 mm Hg pressure; 160 °C/17 mmHg(lit.); 160°C/17mm

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: Corrosive/Harmful/Hygroscopic/Air Sensitive/Store under Argon
• RTECS编号: DN5500000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 相关基因信息: human ... PNMT(5409)

产品相关信息

• 纯度: ≥95% (GC); 96%; 98%
• 级别: technical
• 杂质: ~2% water
• 线性分子式: NH2CH2CH(OH)C6H5

详细说明

MP Biomedicals - 02157482

(2-Amino-1-phenylethanol; Phenylethanolamine)

Sigma Aldrich - A72405

包装
10, 50 g in poly bottle

Sigma Aldrich - 09190

General description
可能含有 1-氨基-2-苯乙醇

Toronto Research Chemicals - P321320

An intermediate in the manufacturing of pressor amines. The sulfate salt is used as topical vasoconstrictor.

参考文献

• Li, C., et al.: Bioorg. Med. Chem. Lett., 19, 5214 (1999)
• Zhang, L., et al.: Biochem. J., 340, 255 (1999)
• Miyazaki, M., et al.: J. Biol. Chem., 278, 33904 (1999)