(3S,4S)-4-methoxy-1-methylpyrrolidin-3-amine

• ChemBase ID: 308701
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: N1(C[C@@H]([C@H](C1)OC)N)C
• Canonical SMILES: CO[C@H]1CN(C[C@@H]1N)C
• InChI: InChI=1S/C6H14N2O/c1-8-3-5(7)6(4-8)9-2/h5-6H,3-4,7H2,1-2H3/t5-,6-/m0/s1
• InChIKey: OHPHQGOFOZCOHP-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-methoxy-1-methylpyrrolidin-3-amine
• IUPAC Traditional name: (3S,4S)-4-methoxy-1-methylpyrrolidin-3-amine
• Synonyms: trans-4-methoxy-1-methyl-3-pyrrolidinamine

Database IDs

• CAS Number: 1212103-66-6
• MDL Number: MFCD12198469

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.6723523
• LogD (pH = 7.4): -2.475649
• Log P: -0.7057806
• Molar Refractivity: 36.3528 cm^3
• Polarizability: 14.7968 Å^3
• Polar Surface Area: 38.49 Å^2