-
Name
N-TRIFLUOROACETYL-L-GLUTAMINE
- EINECS
- CAS No. 2419-34-3
- Article Data2
- CAS DataBase
- Density 1.4297 (estimate)
- Solubility
- Melting Point 146-150 °C
- Formula C7H9F3N2O4
- Boiling Point 513.2 °C at 760 mmHg
- Molecular Weight 242.155
- Flash Point 264.2 °C
- Transport Information
- Appearance white powder and granules
- Safety 24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Glutamine,N2-(trifluoroacetyl)- (7CI);Glutamine, N2-(trifluoroacetyl)-, L- (8CI);L-Glutamine, N2-(trifluoroacetyl)- (9CI);(2S)-5-Amino-5-oxo-2-[(trifluoroacetyl)amino]pentanoate;N-Trifluoroacetyl-L-glutamine;
- PSA 109.49000
- LogP 0.47480
L-Glutamine,N2-(2,2,2-trifluoroacetyl)- Specification
The L-Glutamine,N2-(2,2,2-trifluoroacetyl)-, with the CAS registry number 2419-34-3, is also known as N-Trifluoroacetyl-L-glutamine. This chemical's molecular formula is C7H9F3N2O4 and molecular weight is 241.15. What's more, its systematic name is (2S)-5-amino-5-oxo-2-[(trifluoroacetyl)amino]pentanoate. When using it, you must avoid contact with eyes.
Physical properties of L-Glutamine,N2-(2,2,2-trifluoroacetyl)- are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 77.92 Å2; (7)Flash Point: 264.2 °C; (8)Enthalpy of Vaporization: 85.87 kJ/mol; (9)Boiling Point: 513.2 °C at 760 mmHg; (10)Vapour Pressure: 6.44E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CC(=O)N)C(C(=O)[O-])NC(=O)C(F)(F)F
(2)Isomeric SMILES: C(CC(=O)N)[C@@H](C(=O)[O-])NC(=O)C(F)(F)F
(3)InChI: InChI=1S/C7H9F3N2O4/c8-7(9,10)6(16)12-3(5(14)15)1-2-4(11)13/h3H,1-2H2,(H2,11,13)(H,12,16)(H,14,15)/p-1/t3-/m0/s1
(4)InChIKey: DZSRTQQASVFEBN-VKHMYHEASA-M
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