1-methylazetidin-3-amine

• ChemBase ID: 63133
• Molecular Formular: C4H10N2
• Molecular Mass: 86.1356
• Monoisotopic Mass: 86.08439833
• SMILES: C1C(CN1C)N
• Canonical SMILES: NC1CN(C1)C
• InChI: InChI=1S/C4H10N2/c1-6-2-4(5)3-6/h4H,2-3,5H2,1H3
• InChIKey: BIWZYRJXBPPLLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylazetidin-3-amine
• IUPAC Traditional name: 1-methylazetidin-3-amine
• Synonyms: 1-Methylazetidin-3-amine

Database IDs

• CAS Number: 959957-92-7
• MDL Number: MFCD11849029
• PubChem SID: 162028872
• PubChem CID: 18712662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7106419
• LogD (pH = 7.4): -2.3506057
• Log P: -0.7185722
• Molar Refractivity: 25.6391 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%