(1R)-1-(4-nitrophenyl)ethan-1-amine

• ChemBase编号: 173920
• 分子式: C8H10N2O2
• 平均质量: 166.1772
• 单一同位素质量: 166.07422757
• SMILES: c1c(ccc(c1)[C@H](N)C)[N+](=O)[O-]
• Canonical SMILES: C[C@H](c1ccc(cc1)[N+](=O)[O-])N
• InChI: InChI=1S/C8H10N2O2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,9H2,1H3/t6-/m1/s1
• InChIKey: RAEVOBPXEHVUFY-ZCFIWIBFSA-N

名称和登记号

名称

• IUPAC标准名: (1R)-1-(4-nitrophenyl)ethan-1-amine
• IUPAC传统名: (1R)-1-(4-nitrophenyl)ethanamine
• 别名: (αR)-α-Methyl-4-nitrobenzenemethanamine; (R)-(+)-α-Methyl-p-nitrobenzylamine; (+)-1-(4-Nitrophenyl)ethylamine; (1R)-1-(4-Nitrophenyl)ethanamine; (1R)-1-(4-Nitrophenyl)ethylamine; (R)-1-(4-Nitrophenyl)ethylamine; (R)-4-Nitro-α-methylbenzenemethanamine; (R)-α-(4-Nitrophenyl)ethylamine; (R)-α-Methyl-4-nitrobenzylamine; R-(+)-α-Methyl-p-nitrobenzylamine; R-(+)-α-Methyl-4-nitrobenzylamine; (1R)-1-(4-nitrophenyl)ethan-1-amine

登记号

• CAS号: 22038-87-5
• MDL号: MFCD00137389
• PubChem SID: 164229830
• PubChem CID: 1268056

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.5325971
• LogD (pH = 7.4): -0.5955855
• Log P: 1.4555734
• 摩尔折射率: 46.2749 cm^3
• 极化性: 17.394548 Å^3
• 极化表面积: 71.84 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

• 疏水性(logP): 1.146

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - M320410

R-(+)-α-Methyl-4-nitrobenzylamine is used in the synthesis of Tamsulosin (T006351).