(3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-amine

• ChemBase ID: 308832
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1([C@@H]2[C@@H](N)COC2)CCCC1
• Canonical SMILES: N[C@H]1COC[C@@H]1N1CCCC1
• InChI: InChI=1S/C8H16N2O/c9-7-5-11-6-8(7)10-3-1-2-4-10/h7-8H,1-6,9H2/t7-,8-/m0/s1
• InChIKey: MPUPFMVCVAXZKQ-YUMQZZPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-amine
• IUPAC Traditional name: (3R,4R)-4-(pyrrolidin-1-yl)oxolan-3-amine
• Synonyms: trans-4-(1-pyrrolidinyl)tetrahydro-3-furanamine

Database IDs

• CAS Number: 1212157-31-7
• MDL Number: MFCD11617300

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.6882563
• LogD (pH = 7.4): -2.2923622
• Log P: -0.29998317
• Molar Refractivity: 43.8938 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 38.49 Å^2