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16450-41-2

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Basic Information
CAS No.: 16450-41-2
Name: DIETHYL GLUTAMATE
Article Data: 16
Molecular Structure:
Molecular Structure of 16450-41-2 (DIETHYL GLUTAMATE)
Formula: C9H17NO4
Molecular Weight: 203.238
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;
Density: 1.08 g/cm3
Melting Point: 114-116 °C
Boiling Point: 262 °C at 760 mmHg
Flash Point: 86.3 °C
PSA: 78.62000
LogP: 0.92040
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    L-Glutamic acid,1,5-diethyl ester

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    L-Glutamic acid,1,5-diethyl ester

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    DIETHYL GLUTAMATE

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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