L-Glutamic acid,5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1) supplier

Name
L-Glutamic acid 5-tert-butyl 1-methyl ester hydrochloride
EINECS 228-348-0
CAS No. 6234-01-1
Article Data1
CAS DataBase
Density
Solubility
Melting Point 128 °C
Formula C₁₀H₂₀ClNO₄
Boiling Point 304.5 °C at 760 mmHg
Molecular Weight 253.726
Flash Point 137.9 °C
Transport Information
Appearance White to off-white microcrystalline powder
Safety 4-7-28-35-44
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Glutamicacid, 5-tert-butyl 1-methyl ester, hydrochloride (7CI);Glutamic acid,5-tert-butyl methyl ester, hydrochloride, L- (8CI);L-Glutamic acid5-tert-butyl methyl ester hydrochloride;H-Glu(OtBu)-OMe.HCl;
PSA 78.62000
LogP 2.11090

L-Glutamic acid,5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1) Specification

The L-Glutamic acid,5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1), with the CAS registry number 6234-01-1, is also known as L-Glutamic acid 5-tert-butyl 1-methyl ester hydrochloride. It belongs to the product categories of Glutamic Acid [Glu, E]; Amino Acids and Derivatives; Amino Acid Derivatives; Glutamic Acid; Peptide Synthesis. Its EINECS registry number is 228-348-0. This chemical's molecular formula is C₁₀H₂₀ClNO₄ and molecular weight is 253.72. What's more, its IUPAC name is 5-O-tert-Butyl 1-O-methyl (2S)-2-aminopentanedioate hydrochloride and systematic name is called 5-tert-Butyl 1-methyl L-glutamate hydrochloride. In addition, it is white to off-white microcrystalline powder.

Physical properties about L-Glutamic acid,5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1) are: (1) ACD/LogP: 1.19; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 8; (6) Polar Surface Area: 55.84 Å²; (7) Flash Point: 137.9 °C; (8) Enthalpy of Vaporization: 55.57 kJ/mol; (9) Boiling Point: 304.5 °C at 760 mmHg; (10) Vapour Pressure: 0.000651 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)CC[C@@H](C(=O)OC)N.Cl
(2) InChI: InChI=1/C10H19NO4.ClH/c1-10(2,3)15-8(12)6-5-7(11)9(13)14-4;/h7H,5-6,11H2,1-4H3;1H/t7-;/m0./s1
(3) InChIKey: YIFPACFSZQWAQF-FJXQXJEOBC

Product Name

L-Glutamic acid 5-tert-butyl 1-methyl ester hydrochloride

L-Glutamic acid,5-(1,1-dimethylethyl) 1-methyl ester, hydrochloride (1:1) Specification

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