N,N-dimethylazetidine-3-carboxamide hydrochloride

• ChemBase ID: 64033
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: Cl.CN(C)C(=O)C1CNC1
• Canonical SMILES: CN(C(=O)C1CNC1)C.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c1-8(2)6(9)5-3-7-4-5;/h5,7H,3-4H2,1-2H3;1H
• InChIKey: RVANNEBQEVYYQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylazetidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N,N-dimethylazetidine-3-carboxamide hydrochloride
• Synonyms: N,N-Dimethylazetidine-3-carboxamide hydrochloride

Database IDs

• CAS Number: 927390-60-1
• MDL Number: MFCD10565797
• PubChem SID: 162029772
• PubChem CID: 53308702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.211632
• LogD (pH = 7.4): -3.0324767
• Log P: -1.0566807
• Molar Refractivity: 35.1809 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%