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Name |
β-Alanine, N-(aminocarbonyl)- |
EINECS | N/A |
CAS No. | 462-88-4 | Density | 1.337 g/cm3 |
PSA | 92.42000 | LogP | 0.22060 |
Solubility | 20.9 mg/mL | Melting Point |
170-175 °C (dec.) |
Formula | C4H8N2O3 | Boiling Point | 324.8 °C at 760 mmHg |
Molecular Weight | 132.119 | Flash Point | 150.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
b-Alanine, N-carbamoyl-(6CI,7CI,8CI);3-Ureidopropionic acid;Carbamoyl-b-alanine;Carbamyl b-alanine;N-(Aminocarbonyl)-b-alanine;N-Carbamoyl-b-alanine;NSC 190691;NSC 65768;Propanoic acid, 3-[(aminocarbonyl)amino]-;Urea, (2-carboxyethyl)-;b-Ureidopropionic acid; |
Article Data | 14 |
The β-Alanine, N-(aminocarbonyl)-, with the CAS registry number 462-88-4, is also known as N-Carbamoyl-beta-alanine. This chemical's molecular formula is C4H8N2O3 and molecular weight is 132.11792. Its IUPAC name is called 3-(carbamoylamino)propanoic acid. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting with skin and eyes.
Physical properties of β-Alanine, N-(aminocarbonyl)-: (1)ACD/LogP: -1.42; (2)ACD/LogD (pH 5.5): -2.72; (3)ACD/LogD (pH 7.4): -4.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 29.3 cm3; (13)Molar Volume: 98.8 cm3; (14)Surface Tension: 60.1 dyne/cm; (15)Density: 1.337 g/cm3; (16)Flash Point: 150.2 °C; (17)Enthalpy of Vaporization: 62.31 kJ/mol; (18)Boiling Point: 324.8 °C at 760 mmHg; (19)Vapour Pressure: 4.87E-05 mmHg at 25°C.
Preparation of β-Alanine, N-(aminocarbonyl)-: this chemical can be prepared by b-alanine and fulminic acid; potassium salt. This reaction will need reagents H2O and HCl. The reaction time is 20 min with about 3 PH value. The yield is about 96%.
Uses of β-Alanine, N-(aminocarbonyl)-: it can be used to produce 3-(2,5-dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-propionic acid with 4,5-dihydroxy-imidazolidin-2-one at temperature of 90 °C. This reaction will need reagent H2O with reaction time of 1 hour and 1 PH value. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CNC(=O)N)C(=O)O
(2)InChI: InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
(3)InChIKey: JSJWCHRYRHKBBW-UHFFFAOYSA-N