Basic information
- Name:
N-Carbamyl-glutamic Acid
- CAS No.:
40860-26-2
- Molecular Structure:
- Formula:
- C6H10N2O5
- Molecular Weight:
- 190.154
- Synonyms:
- DL-Glutamic acid, N-(aminocarbonyl)-;DL-2-Ureidoglutarate;
- Density:
- 1.499 g/cm3
- Boiling Point:
- 438.1 °C at 760 mmHg
- Flash Point:
- 218.8 °C
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Specification
The N-Carbamyl-glutamic Acid, with the CAS registry number of 40860-26-2, is also known as DL-2-Ureidoglutarate. This chemical's molecular formula is C6H10N2O5 and molecular weight is 190.154. What's more, its systematic name is called N-Carbamoylglutamic acid.
Physical properties about N-Carbamyl-glutamic Acid are: (1)ACD/LogP: -2.00; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 76.15 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 40.09 cm3; (13)Molar Volume: 126.8 cm3; (14)Surface Tension: 75.5 dyne/cm; (15)Density: 1.499 g/cm3; (16)Flash Point: 218.8 °C; (17)Enthalpy of Vaporization: 76.18 kJ/mol; (18)Boiling Point: 438.1 °C at 760 mmHg; (19)Vapour Pressure: 6.7E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCC(NC(=O)N)C(=O)O
(2) InChI: InChI=1/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)
(3) InChIKey: LCQLHJZYVOQKHU-UHFFFAOYAQ