(3R,4R)-4-(morpholin-4-yl)oxolan-3-amine

• ChemBase ID: 308787
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: N1([C@@H]2[C@@H](N)COC2)CCOCC1
• Canonical SMILES: N[C@H]1COC[C@@H]1N1CCOCC1
• InChI: InChI=1S/C8H16N2O2/c9-7-5-12-6-8(7)10-1-3-11-4-2-10/h7-8H,1-6,9H2/t7-,8-/m0/s1
• InChIKey: LVRARYPUYXXYIN-YUMQZZPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-(morpholin-4-yl)oxolan-3-amine
• IUPAC Traditional name: (3R,4R)-4-(morpholin-4-yl)oxolan-3-amine
• Synonyms: trans-4-(4-morpholinyl)tetrahydro-3-furanamine

Database IDs

• CAS Number: 728008-08-0
• MDL Number: MFCD12198484

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8686755
• LogD (pH = 7.4): -2.4173422
• Log P: -0.9242811
• Molar Refractivity: 45.4273 cm^3
• Polarizability: 18.456266 Å^3
• Polar Surface Area: 47.72 Å^2