(azetidin-2-yl)methanamine

• ChemBase ID: 799394
• Molecular Formular: C4H10N2
• Molecular Mass: 86.1356
• Monoisotopic Mass: 86.08439833
• SMILES: C(N)C1CCN1
• Canonical SMILES: NCC1CCN1
• InChI: InChI=1S/C4H10N2/c5-3-4-1-2-6-4/h4,6H,1-3,5H2
• InChIKey: MRYNEEIGLSDRKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (azetidin-2-yl)methanamine
• IUPAC Traditional name: azetidin-2-ylmethanamine
• Synonyms: azetidin-2-ylmethanamine

Database IDs

• CAS Number: 103550-76-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.0113606
• LogD (pH = 7.4): -4.0436673
• Log P: -1.0416604
• Molar Refractivity: 25.2098 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%