N,1-dimethylazetidin-3-amine hydrochloride

• ChemBase ID: 63738
• Molecular Formular: C5H13ClN2
• Molecular Mass: 136.62312
• Monoisotopic Mass: 136.07672611
• SMILES: C1N(C)CC1NC.Cl
• Canonical SMILES: CNC1CN(C1)C.Cl
• InChI: InChI=1S/C5H12N2.ClH/c1-6-5-3-7(2)4-5;/h5-6H,3-4H2,1-2H3;1H
• InChIKey: DMWSJNNUKSOWSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethylazetidin-3-amine hydrochloride
• IUPAC Traditional name: N,1-dimethylazetidin-3-amine hydrochloride
• Synonyms: N,1-Dimethylazetidin-3-amine hydrochloride

Database IDs

• CAS Number: 321890-38-4
• MDL Number: MFCD12025427
• PubChem SID: 162029477
• PubChem CID: 46735143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4157352
• LogD (pH = 7.4): -2.1075292
• 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%