N,N-dimethylazetidin-3-amine hydrochloride

• ChemBase ID: 63847
• Molecular Formular: C5H13ClN2
• Molecular Mass: 136.62312
• Monoisotopic Mass: 136.07672611
• SMILES: N1CC(N(C)C)C1.Cl
• Canonical SMILES: CN(C1CNC1)C.Cl
• InChI: InChI=1S/C5H12N2.ClH/c1-7(2)5-3-6-4-5;/h5-6H,3-4H2,1-2H3;1H
• InChIKey: BMUIAEREBKVJQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylazetidin-3-amine hydrochloride
• IUPAC Traditional name: N,N-dimethylazetidin-3-amine hydrochloride
• Synonyms: N,N-Dimethylazetidin-3-amine hydrochloride

Database IDs

• CAS Number: 935670-07-8
• MDL Number: MFCD12405078
• PubChem SID: 162029586
• PubChem CID: 23090361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4676962
• LogD (pH = 7.4): -2.3706105
• Log P: -0.28599182
• Molar Refractivity: 30.4137 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%