3-amino-1,3-oxazolidin-2-one

• ChemBase ID: 156870
• Molecular Formular: C3H6N2O2
• Molecular Mass: 102.09194
• Monoisotopic Mass: 102.04292744
• SMILES: C1COC(=O)N1N
• Canonical SMILES: O=C1OCCN1N
• InChI: InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2
• InChIKey: KYCJNIUHWNJNCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-amino-1,3-oxazolidin-2-one
• Synonyms: AOZ; 3-Amino-1,3-oxazolidin-2-one; 3-Amino-2-oxazolidone; NSC 111187; NSC 196570; NSC 38250; 3-Amino-2-oxazolidinone; 3-Amino-2-oxazolidinone; AOZ; 3-氨基-2-恶唑烷酮

Database IDs

• CAS Number: 80-65-9
• EC Number: 201-299-2
• MDL Number: MFCD00020871
• Beilstein Number: 109430
• PubChem SID: 24860134; 162251007
• PubChem CID: 65725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6576617
• LogD (pH = 7.4): -0.6553513
• Log P: -0.6553218
• Molar Refractivity: 23.5013 cm^3
• Polarizability: 8.972743 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO; Methanol
• Apperance: White Solid
• Melting Point: 59-62°C; 65-67 °C

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Grade: VETRANAL™, analytical standard
• Suitability: passes test for identity
• Empirical Formula (Hill Notation): C3H6N2O2

DETAILS

Sigma Aldrich - 33347

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - A618570

A metabolite of Furazolidone and Nitrofuran.

REFERENCES

• Mir, G., et al.: Indian J. Anim. Sci., 54, 888 (1984)
• Gottschall, D., et al.: J. Agric. Food Chem., 43, 2520 (1995)