ethyl(oxan-2-ylmethyl)amine

• ChemBase ID: 307412
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O1C(CNCC)CCCC1
• Canonical SMILES: CCNCC1CCCCO1
• InChI: InChI=1S/C8H17NO/c1-2-9-7-8-5-3-4-6-10-8/h8-9H,2-7H2,1H3
• InChIKey: NWPMUJHTBUOZQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(oxan-2-ylmethyl)amine
• IUPAC Traditional name: ethyl(oxan-2-ylmethyl)amine
• Synonyms: N-(tetrahydro-2H-pyran-2-ylmethyl)ethanamine

Database IDs

• CAS Number: 78345-63-8
• MDL Number: MFCD08059964

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1864622
• LogD (pH = 7.4): -1.411085
• Log P: 1.0270872
• Molar Refractivity: 42.2977 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2