methyl[(3-methyloxetan-3-yl)methyl]amine

• ChemBase ID: 64049
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(COC1)(C)CNC
• Canonical SMILES: CNCC1(C)COC1
• InChI: InChI=1S/C6H13NO/c1-6(3-7-2)4-8-5-6/h7H,3-5H2,1-2H3
• InChIKey: SBEROSHQCHPJIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(3-methyloxetan-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(3-methyloxetan-3-yl)methyl]amine
• Synonyms: N-Methyl-1-(3-methyloxetan-3-yl)methanamine

Database IDs

• CAS Number: 915919-90-3
• MDL Number: MFCD08691435
• PubChem SID: 162029788
• PubChem CID: 42564177

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1972866
• LogD (pH = 7.4): -2.6309426
• Log P: 0.029586812
• Molar Refractivity: 32.875 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%