1-aminoazetidin-2-one hydrochloride

• ChemBase ID: 246443
• Molecular Formular: C3H7ClN2O
• Molecular Mass: 122.55348
• Monoisotopic Mass: 122.02469053
• SMILES: C1(=O)N(CC1)N.Cl
• Canonical SMILES: O=C1CCN1N.Cl
• InChI: InChI=1S/C3H6N2O.ClH/c4-5-2-1-3(5)6;/h1-2,4H2;1H
• InChIKey: JJIPLFFRHAPYTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminoazetidin-2-one hydrochloride
• IUPAC Traditional name: 1-aminoazetidin-2-one hydrochloride
• Synonyms: 1-aminoazetidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD23144303
• PubChem SID: 164302353
• PubChem CID: 71757996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1698668
• LogD (pH = 7.4): -1.164811
• Log P: -1.1647462
• Molar Refractivity: 21.987 cm^3
• Polarizability: 8.208753 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.792

Product Information

• Purity: 95%