N-(azetidin-3-yl)-N-methylacetamide hydrochloride

• ChemBase ID: 64035
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: N1CC(N(C)C(=O)C)C1.Cl
• Canonical SMILES: CN(C(=O)C)C1CNC1.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c1-5(9)8(2)6-3-7-4-6;/h6-7H,3-4H2,1-2H3;1H
• InChIKey: CLRZDNKDFGOBEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 935668-15-8
• MDL Number: MFCD10565806
• PubChem SID: 162029774
• PubChem CID: 53346545

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.14306
• LogD (pH = 7.4): -2.7546294
• Log P: -1.0590975
• Molar Refractivity: 34.6849 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%