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L-Glutamic acid 5-cyclohexyl ester

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Name

L-Glutamic acid 5-cyclohexyl ester

EINECS N/A
CAS No. 112471-82-6 Density 1.17 g/cm3
PSA 89.62000 LogP 1.75470
Solubility N/A Melting Point N/A
Formula C11H19NO4 Boiling Point 400.9 °C at 760 mmHg
Molecular Weight 229.276 Flash Point 196.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 112471-82-6 (L-Glutamic acid 5-cyclohexyl ester) Hazard Symbols N/A
Synonyms

g-Cyclohexyl glutamate;H-Glu(OcHex)-OH;

Article Data 2

L-Glutamic acid 5-cyclohexyl ester Specification

The L-Glutamic acid 5-cyclohexyl ester, with the CAS registry number 112471-82-6, is also known as H-Glu(OcHex)-OH. It belongs to the product categories of Amino Acids; Glutamic Acid [Glu, E]; Amino Acids and Derivatives and Amino Ester. This chemical's molecular formula is C11H19NO4 and molecular weight is 229.27. What's more, its systematic name is called (2S)-2-Amino-5-(cyclohexoxy)-5-oxo-pentanoic acid.

Physical properties about L-Glutamic acid 5-cyclohexyl ester are: (1) ACD/LogP: 1.87; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 3; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 89.62 Å2; (7) Index of Refraction: 1.507; (8) Molar Refractivity: 58.02 cm3; (9)Molar Volume: 194.6 cm3; (10) Polarizability: 23×10-24cm3; (11) Surface Tension: 48.7 dyne/cm; (12) Density: 1.17 g/cm3; (13) Flash Point: 196.2 °C; (14) Enthalpy of Vaporization: 71.53 kJ/mol; (15) Boiling Point: 400.9 °C at 760 mmHg; (16) Vapour Pressure: 1.51E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CCCCC1)CC[C@H](N)C(O)=O
(2) InChI: InChI=1/C11H19NO4/c12-9(11(14)15)6-7-10(13)16-8-4-2-1-3-5-8/h8-9H,1-7,12H2,(H,14,15)/t9-/m0/s1
(3) InChIKey: JSYMWKYNCWQUOY-VIFPVBQEBT

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