benzyl carbamate

• ChemBase编号: 108421
• 分子式: C8H9NO2
• 平均质量: 151.16256
• 单一同位素质量: 151.06332853
• SMILES: NC(=O)OCc1ccccc1
• Canonical SMILES: NC(=O)OCc1ccccc1
• InChI: InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
• InChIKey: PUJDIJCNWFYVJX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl carbamate
• IUPAC传统名: O-benzyl carbamate
• 别名: 氨基甲酸苄酯; Carbamic acid benzyl ester; Z-NH_2; Benzyl carbamate; BENZYL CARBAMATE

登记号

• CAS号: 621-84-1
• EC号: 210-710-4
• MDL号: MFCD00007965
• Beilstein号: 1865635
• PubChem SID: 162094455; 24891616; 24853017
• PubChem CID: 12136

理论计算性质

• Acid pKa: 15.426952
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.313476
• LogD (pH = 7.4): 1.313476
• Log P: 1.313476
• 摩尔折射率: 40.7021 cm^3
• 极化性: 15.910181 Å^3
• 极化表面积: 52.32 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 85-89°C; 86-89 °C; 86-89 °C(lit.)

安全信息

• 德国WGK号: 3
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.0% (HPLC); 97%; 98%; 99%
• 级别: purum
• 线性分子式: NH2COOCH2C6H5

详细说明

MP Biomedicals - 05207299

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B18200

包装
25, 100 g in poly bottle

参考文献

• Similarly, dichloroalkylphosphines give the corresponding phosphinic acids.
• Useful protected ammonia equivalent; the benzyloxycarbonyl (Cbz) group can be cleaved by hydrogenolysis or with HBr. Used in a one-pot route to 1-aminoalkanephosphonic acids: Synthesis, 479 (1978):