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Name |
Glycine tert butyl ester hydrochloride |
EINECS | 214-223-8 |
CAS No. | 27532-96-3 | Density | 0.973 g/cm3 |
PSA | 52.32000 | LogP | 1.78910 |
Solubility | 0.1 g/mL in water, clear, colorless | Melting Point |
141-143 °C(lit.) |
Formula | C6H13NO2.HCl | Boiling Point | 145.7 °C at 760 mmHg |
Molecular Weight | 167.636 | Flash Point | 20.7 °C |
Transport Information | N/A | Appearance | Crystalline |
Safety | 24/25 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Glycine,1,1-dimethylethyl ester, hydrochloride (9CI);Glycine, tert-butyl ester,hydrochloride (7CI,8CI);1,1-Dimethylethyl glycinate hydrochloride;2-Aminoacetic acid tert-butyl ester hydrochloride;Glycine tert-butyl esterhydrochloride;Glycine tert-butyl ester monohydrochloride;tert-Butylglycinatehydrochloride;H-Gly-OtBu·HCl;Glycine,1,1-dimethylethyl ester, hydrochloride (1:1); |
Article Data | 1 |
The IUPAC name of Glycine tert butyl ester hydrochloride is tert-butyl 2-aminoacetate hydrochloride. With the CAS registry number 27532-96-3, it is also named as 2-Methyl-2-propanyl aminoacetate hydrochloride. The product's categories are Miscellaneous; Amino Acids; Glycine [Gly, G]; Amino Acids and Derivatives; Amino Acids 13C, 2H, 15N; Amino Acid tert-Butyl Esters; Amino Acids (C-Protected); Biochemistry; Amino hydrochloride; Amino Acids & Derivatives. It is white fine crystalline powder which should be sealed in the container and stored in the cool and low-temperature place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 20.53; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 20.7 °C; (13)Enthalpy of Vaporization: 38.27 kJ/mol; (14)Boiling Point: 145.7 °C at 760 mmHg; (15)Vapour Pressure: 4.8 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Exact Mass: 167.071306; (18)MonoIsotopic Mass: 167.071306; (19)Topological Polar Surface Area: 52.3; (20)Heavy Atom Count: 10; (21)Complexity: 104.
Uses of Glycine tert butyl ester hydrochloride: It can react with 1-chloro-2-isocyanato-ethane to get N-(2-chloroethylcarbamoyl)glycine t-butyl ester. This reaction needs reagent triethylamine and solvent dimethylformamide at temperature of 0 °C. The reaction time is 2 hours. The yield is 74%.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)CN.Cl
2. InChI:InChI=1/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H