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Name |
D-Glutamine, methylester, monohydrochloride (9CI) |
EINECS | N/A |
CAS No. | 74817-54-2 | Density | 1.178g/cm3 |
PSA | 95.41000 | LogP | 0.95480 |
Solubility | N/A | Melting Point |
142 °C (diethyl ether) |
Formula | C6H13ClN2O3 | Boiling Point | 344.6 °C at 760 mmHg |
Molecular Weight | 196.634 | Flash Point | 199 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
D-Glutaminemethyl ester hydrochloride; |
Article Data | 4 |
The D-Glutamine, methylester, monohydrochloride (9CI), with the CAS registry number 74817-54-2, is also known as (R)-2-Amino-4-carbamoyl-butyric acid methyl ester hydrochloride. It belongs to the product category of Chiral. This chemical's molecular formula is C6H13ClN2O3 and molecular weight is 196.632. Its systematic name is called methyl D-glutaminate hydrochloride.
Physical properties of D-Glutamine, methylester, monohydrochloride (9CI): (1)ACD/LogP: -1.41; (2)ACD/LogD (pH 5.5): -2.87; (3)ACD/LogD (pH 7.4): -1.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.99; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 199 °C; (12)Enthalpy of Vaporization: 58.86 kJ/mol; (13)Boiling Point: 344.6 °C at 760 mmHg; (14)Vapour Pressure: 6.52E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(N)CC[C@@H](N)C(=O)OC
(2)InChI: InChI=1/C6H12N2O3.ClH/c1-11-6(10)4(7)2-3-5(8)9;/h4H,2-3,7H2,1H3,(H2,8,9);1H/t4-;/m1./s1
(3)InChIKey: HGYBXODOMJPMNO-PGMHMLKABA