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L-Glutamic acid,1,5-diethyl ester

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Name

L-Glutamic acid,1,5-diethyl ester

EINECS
CAS No. 16450-41-2 Density 1.08 g/cm3
Solubility Melting Point
Formula C9H17NO4 Boiling Point 262 °C at 760 mmHg
Molecular Weight 203.24 Flash Point 86.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 16450-41-2 (L-Glutamic acid,1,5-diethyl ester) Hazard Symbols
Synonyms

Glutamicacid, diethyl ester, L- (6CI,7CI,8CI);L-Glutamic acid, diethyl ester (9CI);(S)-Glutamic acid diethyl ester;Diethyl L-glutamate;Glutamate diethyl ester;L-Glutamate diethyl ester;L-Glutamic acid a,g-diethyl ester;a,g-Diethyl glutamate;

 

L-Glutamic acid,1,5-diethyl ester Specification

The L-Glutamic acid,1,5-diethyl ester, with the CAS registry number 16450-41-2, is also known as (S)-Glutamic acid diethyl ester. This chemical's molecular formula is C9H17NO4 and molecular weight is 203.24. What's more, its systematic name is diethyl L-glutamate. Its classification codes are: (1)Anticonvulsants; (2)Central Nervous System Agents; (3)Excitatory Amino Acid Agents; (4)Excitatory amino acid antagonists; (5)Neurotransmitter Agents; (6)Psychotropic drugs.

Physical properties of L-Glutamic acid,1,5-diethyl ester are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 2.07; (8)ACD/KOC (pH 7.4): 56.2; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 50.78 cm3; (15)Molar Volume: 188.1 cm3; (16)Polarizability: 20.13×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 86.3 °C; (20)Enthalpy of Vaporization: 49.97 kJ/mol; (21)Boiling Point: 262 °C at 760 mmHg; (22)Vapour Pressure: 0.0112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC[C@H](N)C(=O)OCC
(2)InChI: InChI=1S/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/t7-/m0/s1
(3)InChIKey: HERPVHLYIHBEFW-ZETCQYMHSA-N

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