(3S)-pyrrolidin-3-amine dihydrochloride

• ChemBase ID: 89143
• Molecular Formular: C4H12Cl2N2
• Molecular Mass: 159.05748
• Monoisotopic Mass: 158.03775375
• SMILES: N1C[C@H](CC1)N.Cl.Cl
• Canonical SMILES: N[C@@H]1CNCC1.Cl.Cl
• InChI: InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/m0../s1
• InChIKey: NJPNCMOUEXEGBL-FHNDMYTFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-pyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: (3S)-pyrrolidin-3-amine dihydrochloride
• Synonyms: (S)-3-Aminopyrrolidine dihydrochloride; (S)-(+)-3-AMINOPYRROLIDINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 116183-83-6
• MDL Number: MFCD00070605
• PubChem SID: 162076027
• PubChem CID: 13500644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.116508
• LogD (pH = 7.4): -4.3484693
• Log P: -1.0416604
• Molar Refractivity: 25.2098 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%