N-methylazetidin-3-amine

• ChemBase ID: 64040
• Molecular Formular: C4H10N2
• Molecular Mass: 86.1356
• Monoisotopic Mass: 86.08439833
• SMILES: C1C(NC)CN1
• Canonical SMILES: CNC1CNC1
• InChI: InChI=1S/C4H10N2/c1-5-4-2-6-3-4/h4-6H,2-3H2,1H3
• InChIKey: NQPTWMKTGPWPMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 247069-31-4
• MDL Number: MFCD12547445
• PubChem SID: 162029779
• PubChem CID: 10086969

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8723295
• LogD (pH = 7.4): -2.563063
• Log P: -0.6690398
• Molar Refractivity: 25.119 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%