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6899-04-3

Basic Information
CAS No.: 6899-04-3
Name: DL-Glutamine
Article Data: 9
Molecular Structure:
Molecular Structure of 6899-04-3 (DL-Glutamine)
Formula: C5H10N2O3
Molecular Weight: 146.146
Synonyms: gamma-Glutamine;
EINECS: 230-006-0
Density: 1.321 g/cm3
Melting Point: 177℃
Boiling Point: 445.6 °C at 760 mmHg
Flash Point: 223.3 °C
Solubility: almost transparency
Appearance: White crystalline powder
PSA: 106.41000
LogP: 0.06440
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Specification

The Glutamine, with CAS registry number 6899-04-3, belongs to the following product category: Amino Acids. It has the systematic name of glutamine. Besides this, it is also called DL-Glutamine. Its molecular weight is 146.1445. And the chemical formula of this chemical is C5H10N2O3. What's more, its EINECS is 230-006-0.

Physical properties of Glutamine: (1)ACD/LogP: -1.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.17; (4)ACD/LogD (pH 7.4): -4.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 33.83 cm3; (15)Molar Volume: 110.5 cm3; (16)Polarizability: 13.41×10-24cm3; (17)Surface Tension: 64.5 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 223.3 °C; (20)Enthalpy of Vaporization: 77.13 kJ/mol; (21)Boiling Point: 445.6 °C at 760 mmHg; (22)Vapour Pressure: 3.5E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by L-glutamic acid. This reaction will need reagent NH3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CCC(N)C(=O)O
(2)InChI: InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
(3)InChIKey: ZDXPYRJPNDTMRX-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
(5)Std. InChIKey: ZDXPYRJPNDTMRX-UHFFFAOYSA-N