(3-methyloxetan-3-yl)methanamine

• ChemBase ID: 50883
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C1(COC1)(CN)C
• Canonical SMILES: NCC1(C)COC1
• InChI: InChI=1S/C5H11NO/c1-5(2-6)3-7-4-5/h2-4,6H2,1H3
• InChIKey: MCPRXSXYXHMCKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methyloxetan-3-yl)methanamine
• IUPAC Traditional name: (3-methyloxetan-3-yl)methanamine
• Synonyms: (3-methyloxetan-3-yl)methanamine; 1-(3-methyl-3-oxetanyl)methanamine; C-(3-Methyl-oxetan-3-yl)-methylamine

Database IDs

• CAS Number: 153209-97-3
• MDL Number: MFCD08703640
• PubChem SID: 162055646
• PubChem CID: 15789550

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4119818
• LogD (pH = 7.4): -2.6942267
• Log P: -0.4029936
• Molar Refractivity: 28.1004 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.012

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%