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

• ChemBase ID: 143908
• Molecular Formular: C6H16Cl2N2O
• Molecular Mass: 203.11004
• Monoisotopic Mass: 202.0639685
• SMILES: CN1C[C@@H]([C@H](C1)OC)N.Cl.Cl
• Canonical SMILES: CO[C@H]1CN(C[C@@H]1N)C.Cl.Cl
• InChI: InChI=1S/C6H14N2O.2ClH/c1-8-3-5(7)6(4-8)9-2;;/h5-6H,3-4,7H2,1-2H3;2*1H/t5-,6-;;/m0../s1
• InChIKey: JLVDRWLILONZCF-USPAICOZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162238125
• PubChem CID: 71311037

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H16Cl2N2O

DETAILS

Sigma Aldrich - CBR00679

Other Notes
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Legal Information
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