(3R,4S)-4-(ethylamino)oxolan-3-ol

• ChemBase ID: 308390
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: [C@H]1([C@@H](O)COC1)NCC
• Canonical SMILES: CCN[C@H]1COC[C@@H]1O
• InChI: InChI=1S/C6H13NO2/c1-2-7-5-3-9-4-6(5)8/h5-8H,2-4H2,1H3/t5-,6-/m0/s1
• InChIKey: VRTZZSCUXBQUET-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-4-(ethylamino)oxolan-3-ol
• IUPAC Traditional name: (3R,4S)-4-(ethylamino)oxolan-3-ol
• Synonyms: trans-4-(ethylamino)tetrahydro-3-furanol

Database IDs

• CAS Number: 1212163-30-8
• MDL Number: MFCD18207749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7341106
• LogD (pH = 7.4): -2.4044266
• Log P: -0.6251388
• Molar Refractivity: 34.1492 cm^3
• Polarizability: 13.90578 Å^3
• Polar Surface Area: 41.49 Å^2