methyl(oxan-4-ylmethyl)amine

• ChemBase ID: 63873
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N(C)CC1CCOCC1
• Canonical SMILES: CNCC1CCOCC1
• InChI: InChI=1S/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
• InChIKey: WMBCUXKYKVTJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(oxan-4-ylmethyl)amine; methyl[(oxan-4-yl)methyl]amine
• IUPAC Traditional name: methyl(oxan-4-ylmethyl)amine
• Synonyms: methyl(oxan-4-ylmethyl)amine; N-methyl-1-(tetrahydro-2H-pyran-4-yl)methanamine; N-Methyl-1-(tetrahydro-2H-pyran-4-yl)methylamine; 4-[(Methylamino)methyl]tetrahydro-2H-pyran; N-methyl-(tetrahydropyran-4-ylmethyl)amine; N-Methyl(tetrahydro-2H-pyran-4-yl)methanamine; METHYL-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINE

Database IDs

• CAS Number: 439081-52-4
• MDL Number: MFCD06739009
• PubChem SID: 162029612
• PubChem CID: 22225668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.007907
• LogD (pH = 7.4): -2.7214286
• Log P: 0.22890837
• Molar Refractivity: 37.9869 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): -0.267

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 97%; 98%