1,2-oxazolidine hydrochloride

• ChemBase ID: 16975
• Molecular Formular: C3H8ClNO
• Molecular Mass: 109.55472
• Monoisotopic Mass: 109.02944156
• SMILES: C1CNOC1.Cl
• Canonical SMILES: C1CCNO1.Cl
• InChI: InChI=1S/C3H7NO.ClH/c1-2-4-5-3-1;/h4H,1-3H2;1H
• InChIKey: HPIVVOQIZYNVJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-oxazolidine hydrochloride
• IUPAC Traditional name: isoxazolidine hydrochloride
• Synonyms: Isoxazolidine hydrochloride

Database IDs

• CAS Number: 39657-45-9
• MDL Number: MFCD11100465
• PubChem SID: 160980282
• PubChem CID: 12304500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35684934
• LogD (pH = 7.4): -0.2519407
• Log P: -0.2504248
• Molar Refractivity: 29.5549 cm^3
• Polarizability: 7.7528024 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false