(3S,4R)-4-ethoxyoxolan-3-amine

• ChemBase ID: 308372
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: [C@H]1([C@H](COC1)OCC)N
• Canonical SMILES: CCO[C@H]1COC[C@@H]1N
• InChI: InChI=1S/C6H13NO2/c1-2-9-6-4-8-3-5(6)7/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
• InChIKey: DHKFYFFNUUVCHK-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-4-ethoxyoxolan-3-amine
• IUPAC Traditional name: (3S,4R)-4-ethoxyoxolan-3-amine
• Synonyms: trans-4-ethoxytetrahydro-3-furanamine

Database IDs

• CAS Number: 1255859-41-6
• MDL Number: MFCD11053964

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3203554
• LogD (pH = 7.4): -2.0097432
• Log P: -0.41459274
• Molar Refractivity: 34.1258 cm^3
• Polarizability: 13.976185 Å^3
• Polar Surface Area: 44.48 Å^2