methyl[2-(oxan-2-ylmethoxy)ethyl]amine

• ChemBase ID: 18137
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: O1C(COCCNC)CCCC1
• Canonical SMILES: CNCCOCC1CCCCO1
• InChI: InChI=1S/C9H19NO2/c1-10-5-7-11-8-9-4-2-3-6-12-9/h9-10H,2-8H2,1H3
• InChIKey: GBELRBNUQIOXJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(oxan-2-ylmethoxy)ethyl]amine
• IUPAC Traditional name: methyl[2-(oxan-2-ylmethoxy)ethyl]amine
• Synonyms: Methyl-[2-(tetrahydro-pyran-2-ylmethoxy)-ethyl]-amine

Database IDs

• MDL Number: MFCD08146659
• PubChem SID: 160981444
• PubChem CID: 43811471

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5718338
• LogD (pH = 7.4): -1.61833
• Log P: 0.6233037
• Molar Refractivity: 48.5926 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false