N-methyloxetan-3-amine

• ChemBase ID: 61724
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: O1CC(C1)NC
• Canonical SMILES: CNC1COC1
• InChI: InChI=1S/C4H9NO/c1-5-4-2-6-3-4/h4-5H,2-3H2,1H3
• InChIKey: JUIXJPRSYHSLHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyloxetan-3-amine
• IUPAC Traditional name: N-methyloxetan-3-amine
• Synonyms: N-Methyl-3-oxetanamine

Database IDs

• CAS Number: 952182-03-5
• MDL Number: MFCD08544349
• PubChem SID: 162027465
• PubChem CID: 46839993

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1644878
• LogD (pH = 7.4): -1.4949684
• Log P: -0.35161185
• Molar Refractivity: 23.4381 cm^3
• Polarizability: 9.589044 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false