3-amino(2H4)-1,3-oxazolidin-2-one hydrochloride

• ChemBase ID: 77136
• Molecular Formular: C3H7ClN2O2
• Molecular Mass: 138.55288
• Monoisotopic Mass: 138.01960515
• SMILES: O1CCN(C1=O)N.Cl
• Canonical SMILES: O=C1OCCN1N.Cl
• InChI: InChI=1S/C3H6N2O2.ClH/c4-5-1-2-7-3(5)6;/h1-2,4H2;1H
• InChIKey: NZPARMKLAMASCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino(^2H₄)-1,3-oxazolidin-2-one hydrochloride
• IUPAC Traditional name: 3-amino(^2H₄)-1,3-oxazolidin-2-one hydrochloride
• Synonyms: 3-Amino-2-oxazolidinone-d4 hydrochloride; 3-Amino-2-oxazolidone-d4 hydrochloride >95%

Database IDs

• MDL Number: MFCD04038844
• PubChem SID: 162042010
• PubChem CID: 44118734

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

• Melting Point: 128-131°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%