tert-butyl 2-aminoacetate hydrochloride

• ChemBase编号: 102474
• 分子式: C6H14ClNO2
• 平均质量: 167.63386
• 单一同位素质量: 167.07130637
• SMILES: Cl.CC(C)(C)OC(=O)CN
• Canonical SMILES: NCC(=O)OC(C)(C)C.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H
• InChIKey: OSWULUXZFOQIRU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 2-aminoacetate hydrochloride
• IUPAC传统名: tert-butyl 2-aminoacetate hydrochloride
• 别名: 叔丁基氨基乙酸酯 盐酸盐; 甘氨酸叔丁酯 盐酸盐; t-Butyl glycinate; GLYCINE t-BUTYL ESTER HYDROCHLORIDE; Glycine t-butyl ester hydrochloride; tert-butyl 2-aminoacetate hydrochloride; Glycine 1,1-Dimethylethyl Ester Hydrochloride; 1,1-Dimethylethyl Glycinate Hydrochloride; Glycine tert-Butyl Ester Monohydrochloride; tert-Butyl 2-Aminoacetate Hydrochloride; tert-Butylglycinate Hydrochloride; tert-Butyl aminoacetate hydrochloride; Glycine tert-butyl ester hydrochloride

登记号

• CAS号: 27532-96-3; 6456-74-2
• MDL号: MFCD00058255
• Beilstein号: 3989048
• PubChem SID: 162088441; 24866682; 24861538
• PubChem CID: 2725036

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.5321546
• LogD (pH = 7.4): -0.120159544
• Log P: 0.052378148
• 摩尔折射率: 34.5781 cm^3
• 极化性: 14.082125 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

• 溶解度: H2O: soluble0.1 g/mL, clear, colorless; Methanol; Water
• 外观: White Solid
• 熔点: 132-134°C; 136-138°C; 141 - 143°C; 141-143 °C(lit.)
• 疏水性(logP): 0.0

安全信息

• 保存条件: 0°C, Desiccate
• 德国WGK号: 3
• 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% (AT); 95%; 97%; 98%
• 级别: puriss.
• 线性分子式: H2NCH2CO2C(CH3)3 · HCl

详细说明

MP Biomedicals - 02101826

Hydrochloride
Crystalline

Sigma Aldrich - 347957

包装
1, 5 g in glass bottle

Toronto Research Chemicals - G625175

A substituted Glycine (G615990) used as parakeratosis inhibitor and external composition for skin.

参考文献

• Pucci, B., et al.: Eur. Polymer J., 26, 731 (1990)