methyl(oxan-2-ylmethyl)amine

• ChemBase ID: 57524
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1C(CNC)CCCC1
• Canonical SMILES: CNCC1CCCCO1
• InChI: InChI=1S/C7H15NO/c1-8-6-7-4-2-3-5-9-7/h7-8H,2-6H2,1H3
• InChIKey: PMULDAJCNKLGCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(oxan-2-ylmethyl)amine
• IUPAC Traditional name: methyl(oxan-2-ylmethyl)amine
• Synonyms: N-Methyl-1-(tetrahydro-2H-pyran-2-yl)methanamine; methyl(oxan-2-ylmethyl)amine

Database IDs

• CAS Number: 7179-96-6
• MDL Number: MFCD06738978
• PubChem SID: 162062287
• PubChem CID: 12700142

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5375953
• LogD (pH = 7.4): -1.6982005
• Log P: 0.6702792
• Molar Refractivity: 37.5491 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.63

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%