3-methoxyoxan-4-amine

• ChemBase ID: 274354
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C1(C(N)CCOC1)OC
• Canonical SMILES: COC1COCCC1N
• InChI: InChI=1S/C6H13NO2/c1-8-6-4-9-3-2-5(6)7/h5-6H,2-4,7H2,1H3
• InChIKey: OHVYRLNUMZHWIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxyoxan-4-amine
• IUPAC Traditional name: 3-methoxyoxan-4-amine
• Synonyms: 3-methoxyoxan-4-amine

Database IDs

• MDL Number: MFCD12087954
• PubChem SID: 164330264
• PubChem CID: 43608858

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7116146
• LogD (pH = 7.4): -2.8857713
• Log P: -0.7114409
• Molar Refractivity: 34.2426 cm^3
• Polarizability: 13.976185 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.708

Product Information

• Purity: 95%