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CAS No.: | 1119-33-1 |
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Name: | H-GLU(OET)-OH |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C7H13NO4 |
Molecular Weight: | 175.185 |
Synonyms: | Glutamicacid, 5-ethyl ester, L- (6CI,8CI);5-Ethyl L-glutamate;Ethyl L-glutamate;L-Glutamic acid g-ethylester;NSC 156977;NSC 16885;g-Ethyl L-glutamate;g-Ethyl glutamate;g-Monoethyl glutamate;H-Glu(OEt)-OH; |
EINECS: | 214-274-6 |
Density: | 1.197 g/cm3 |
Melting Point: | 179 ºC |
Boiling Point: | 326.5 °C at 760 mmHg |
Flash Point: | 151.3 °C |
Solubility: | clear to hazy colorless to faint yellow solution at 100 mg/ml of water |
Appearance: | White crystalline powder |
PSA: | 89.62000 |
LogP: | 0.44190 |
The L-Glutamic acid,5-ethyl ester, with the CAS registry number 1119-33-1, is also known as L-Glutamic acid gamma-ethyl ester. It belongs to the product categories of Glutamic Acid [Glu, E]; Amino Acids and Derivatives; Amino Acid Derivatives. Its EINECS registry number is 214-274-6. This chemical's molecular formula is C7H13NO4 and molecular weight is 175.18. What's more, both its IUPAC name and systematic name are the same which is called (2S)-2-Amino-5-ethoxy-5-oxopentanoic acid. In addition, it is white crystalline powder.
Physical properties about L-Glutamic acid,5-ethyl ester are: (1) ACD/LogP: 0.34; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.16; (4) ACD/LogD (pH 7.4): -2.17; (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): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 55.84 Å2; (13) Index of Refraction: 1.476; (14) Molar Refractivity: 41.31 cm3; (15)Molar Volume: 146.2 cm3; (16) Surface Tension: 47.3 dyne/cm; (17) Density: 1.197 g/cm3; (18) Flash Point: 151.3 °C; (19) Enthalpy of Vaporization: 62.53 kJ/mol; (20) Boiling Point: 326.5 °C at 760 mmHg; (21) Vapour Pressure: 4.29E-05 mmHg at 25°C; (22) Melting Point: 179 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC[C@H](N)C(=O)O
(2) InChI: InChI=1/C7H13NO4/c1-2-12-6(9)4-3-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
(3) InChIKey: XMQUEQJCYRFIQS-YFKPBYRVBH