CARBAMOYL-DL-ALA-OH

The Alanine, N-(aminocarbonyl)-, with the CAS registry number 77340-50-2, is also known as N-Carbamoyl-DL-alanine. This chemical's molecular formula is C₄H₈N₂O₃ and molecular weight is 132.12. What's more, its systematic name is N-Carbamoylalanine. Besides, it should be stored at -20 °C.

Physical properties about Alanine, N-(aminocarbonyl)- are: (1)ACD/LogP: -1.24; (2)# of Rule of 5 Violations: 0; (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: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.85 Å²; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 29.26 cm³; (13)Molar Volume: 99.1 cm³; (14)Polarizability: 11.6×10^-24 cm³; (15)Surface Tension: 57 dyne/cm; (16)Density: 1.332 g/cm³; (17)Flash Point: 137.8 °C; (18)Enthalpy of Vaporization: 59.9 kJ/mol; (19)Boiling Point: 304.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000204 mmHg at 25 °C.

Preparation of Alanine, N-(aminocarbonyl)-: this chemical is prepared by 5-Methyl-imidazolidine-2,4-dione. The reaction needs reagent KOH. The reaction time is 8 hours with reaction temperature of 70 °C. The yield is about 97 %.

Uses of Alanine, N-(aminocarbonyl)-: it is used to produce other chemicals. For example, it is used to produce L-Alanine. This reaction needs reagents NiCl₂, NH₄Cl-NH₄OH buffer pH 8.5. The reaction time is 24 hours with reaction temperature of 60 °C. Other condition of this reaction is N-Carbamyl-L-amino acid aminohydrolase. The yield is about 100 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(NC(=O)N)C
(2) InChI: InChI=1/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)
(3) InChIKey: LUSWEUMSEVLFEQ-UHFFFAOYAR