CAS No.27532-96-3,Glycine tert butyl ester hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27532-96-3
Name:	Glycine tert butyl ester hydrochloride
Article Data:	1

Formula:	C₆H₁₃NO₂^.HCl
Molecular Weight:	167.636
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);
EINECS:	214-223-8
Density:	0.973 g/cm³
Melting Point:	141-143 °C(lit.)
Boiling Point:	145.7 °C at 760 mmHg
Flash Point:	20.7 °C
Solubility:	0.1 g/mL in water, clear, colorless
Appearance:	Crystalline
Risk Codes:	36/37/38
Safety:	24/25
PSA:	52.32000
LogP:	1.78910

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Specification

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