L-Glutamic acid di-tert-butyl ester hydrochloride supplier

Name
L-Glutamic acid di-tert-butyl ester hydrochloride
EINECS
CAS No. 32677-01-3
Article Data3
CAS DataBase
Density 1.02 g/cm³
Solubility
Melting Point 60 to 75ºC
Formula C₁₃H₂₆ClNO₄
Boiling Point 311.1 °C at 760 mmHg
Molecular Weight 295.807
Flash Point 78.1 °C
Transport Information
Appearance White to off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glutamicacid, di-tert-butyl ester, hydrochloride, L- (8CI);L-Glutamic acid, bis(1,1-dimethylethyl)ester, hydrochloride (9CI);Di-tert-butyl L-glutamate hydrochloride;Di-tert-butyl glutamate hydrochloride;Glutamic acid di-tert-butyl esterhydrochloride;NSC 94681;H-Glu(OtBu)-OtBu·HCl;L-Glutamic acid,1,5-bis(1,1-dimethylethyl) ester, hydrochloride (1:1);
PSA 78.62000
LogP 3.27960

L-Glutamic acid di-tert-butyl ester hydrochloride Specification

The L-Glutamic acid,1,5-bis(1,1-dimethylethyl) ester, hydrochloride (1:1), with the CAS registry number 32677-01-3, is also known as L-Glutamic acid di-tert-butyl ester hydrochloride. It belongs to the product categories of Amino Acids; Glutamic acid [Glu, E]; Amino Acids and Derivatives; Amino Hydrochloride; A - H; Amino Acids; Modified Amino Acids; Amino Acid Derivatives; Glutamic Acid and Peptide Synthesis. This chemical's molecular formula is C₁₃H₂₆ClNO₄ and molecular weight is 295.8. What's more, its IUPAC name is Ditert-butyl (2S)-2-aminopentanedioate hydrochloride and systematic name is called Di-tert-butyl L-glutamate hydrochloride (1:1). This chemical is white to off-white powder.

Physical properties about L-Glutamic acid,1,5-bis(1,1-dimethylethyl) ester, hydrochloride (1:1) are: (1) ACD/LogP: 2.42; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 9; (6) Polar Surface Area: 55.84 Å²; (7) Flash Point: 78.1 °C; (8) Enthalpy of Vaporization: 55.2 kJ/mol; (9) Boiling Point: 311.1 °C at 760 mmHg; (10) Vapour Pressure: 0.000574 mmHg at 25 °C; (11) Melting Point: 60-75 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)[C@@H](N)CCC(=O)OC(C)(C)C.Cl
(2) InChI: InChI=1/C13H25NO4.ClH/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6;/h9H,7-8,14H2,1-6H3;1H/t9-;/m0./s1
(3) InChIKey: LFEYMWCCUAOUKZ-FVGYRXGTBM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	148mg/kg (148mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Neurobehavioral Toxicology and Teratology. Vol. 7, Pg. 275, 1985.
rat	LDLo	intraperitoneal	148mg/kg (148mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Neurobehavioral Toxicology and Teratology. Vol. 7, Pg. 275, 1985.

Product Name

L-Glutamic acid di-tert-butyl ester hydrochloride

L-Glutamic acid di-tert-butyl ester hydrochloride Specification

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