N-(azetidin-3-yl)acetamide hydrochloride

• ChemBase ID: 64038
• Molecular Formular: C5H11ClN2O
• Molecular Mass: 150.60664
• Monoisotopic Mass: 150.05599066
• SMILES: Cl.N1CC(NC(=O)C)C1
• Canonical SMILES: CC(=O)NC1CNC1.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c1-4(8)7-5-2-6-3-5;/h5-6H,2-3H2,1H3,(H,7,8);1H
• InChIKey: OYPPTIMLOJPLGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(azetidin-3-yl)acetamide hydrochloride
• IUPAC Traditional name: N-(azetidin-3-yl)acetamide hydrochloride
• Synonyms: N-(Azetidin-3-yl)acetamide hydrochloride

Database IDs

• CAS Number: 102065-92-9
• MDL Number: MFCD08059477
• PubChem SID: 162029777
• PubChem CID: 13401969

CALCULATED PROPERTIES

• Acid pKa: 15.890964
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.3737793
• LogD (pH = 7.4): -3.000726
• Log P: -1.2827735
• Molar Refractivity: 29.7882 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%