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L-Glutamine,N2-(1-oxododecyl)-

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Name

L-Glutamine,N2-(1-oxododecyl)-

EINECS
CAS No. 109570-04-9 Density 1.056 g/cm3
Solubility Melting Point
Formula C17H32N2O4 Boiling Point 599 °C at 760 mmHg
Molecular Weight 328.45 Flash Point 316.1 °C
Transport Information Appearance
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 109570-04-9 (L-Glutamine,N2-(1-oxododecyl)-) Hazard Symbols
Synonyms

Glutamine,N-lauroyl-, L- (6CI);(S)-5-Amino-2-dodecanamido-5-oxopentanoic acid;N-alpha-Lautoyl-L-glutamine;

 

L-Glutamine,N2-(1-oxododecyl)- Specification

The L-Glutamine,N2-(1-oxododecyl)-, with the CAS registry number 109570-04-9, is also known as N-alpha-Lautoyl-L-glutamine. This chemical's molecular formula is C17H32N2O4 and molecular weight is 328.45. What's more, its systematic name is (S)-5-amino-2-dodecanamido-5-oxopentanoic acid. You should not breathe dust. When using it, you must avoid contact with eyes. 

Physical properties of L-Glutamine,N2-(1-oxododecyl)- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 66.92 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 89.52 cm3; (15)Molar Volume: 310.8 cm3; (16)Polarizability: 35.48×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 316.1 °C; (20)Enthalpy of Vaporization: 97.4 kJ/mol; (21)Boiling Point: 599 °C at 760 mmHg; (22)Vapour Pressure: 6.79E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)CCC(=O)N)CCCCCCCCCCC
(2)InChI: InChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23)
(3)InChIKey: USMCNVFGYLZLGM-UHFFFAOYSA-N

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