(3S,4S)-4-(dimethylamino)pyrrolidin-3-ol

• ChemBase ID: 308588
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: [C@H]1([C@H](CNC1)O)N(C)C
• Canonical SMILES: O[C@H]1CNC[C@@H]1N(C)C
• InChI: InChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6(5)9/h5-7,9H,3-4H2,1-2H3/t5-,6-/m0/s1
• InChIKey: CLMZWVXBYNBYDL-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-(dimethylamino)pyrrolidin-3-ol
• IUPAC Traditional name: (3S,4S)-4-(dimethylamino)pyrrolidin-3-ol
• Synonyms: trans-4-(dimethylamino)-3-pyrrolidinol

Database IDs

• CAS Number: 960289-61-6
• MDL Number: MFCD11053998

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.8604374
• LogD (pH = 7.4): -3.5170336
• Log P: -0.91632676
• Molar Refractivity: 36.3762 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 35.5 Å^2