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Name |
3-Amino-2-oxazolidinone |
EINECS | 201-299-2 |
CAS No. | 80-65-9 | Density | 1.363 g/cm3 |
PSA | 55.56000 | LogP | -0.04950 |
Solubility | N/A | Melting Point |
65-67 °C |
Formula | C3H6N2O2 | Boiling Point | 167.2 °C at 760 mmHg |
Molecular Weight | 102.093 | Flash Point | 54.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Amino-2-oxazolidone; |
Article Data | 19 |
The 2-Oxazolidinone,3-amino-, with the CAS registry number of 80-65-9, is also known as 3-Amino-2-oxazolidone. It belongs to the product categories of Variousamine; Isoxazoles, Oxadiazoles, Oxazoles; Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. Its EINECS registry number is 201-299-2. Its molecular formula is C3H6N2O2 and molecular weight is 102.09. What's more, its IUPAC name is 3-Amino-1,3-oxazolidin-2-one.
Physical properties about the 2-Oxazolidinone,3-amino- are: (1)ACD/LogP: -1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.64; (8)ACD/KOC (pH 7.4): 2.66; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 22.69 cm3; (15)Molar Volume: 74.8 cm3; (16)Surface Tension: 52.9 dyne/cm; (17)Density: 1.363 g/cm3; (18)Flash Point: 54.9 °C; (19)Enthalpy of Vaporization: 40.37 kJ/mol; (20)Boiling Point: 167.2 °C at 760 mmHg; (21)Vapour Pressure: 1.72 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 3,3'-Diazenediyl-bis-oxazolidin-2-one. This reaction needs reagent PhSe(O)OH. Meanwhile, it needs solvent Methanol. The reaction temperature is -10 °C. The yield is about 96 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OCCN1N
(2) InChI: InChI=1/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2
(3) InChIKey: KYCJNIUHWNJNCT-UHFFFAOYAW