3-methylpyrrolidin-3-amine dihydrochloride

• ChemBase ID: 243506
• Molecular Formular: C5H14Cl2N2
• Molecular Mass: 173.08406
• Monoisotopic Mass: 172.05340382
• SMILES: N1CC(N)(CC1)C.Cl.Cl
• Canonical SMILES: CC1(N)CNCC1.Cl.Cl
• InChI: InChI=1S/C5H12N2.2ClH/c1-5(6)2-3-7-4-5;;/h7H,2-4,6H2,1H3;2*1H
• InChIKey: LVWLJFTUJCADPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: 3-methylpyrrolidin-3-amine dihydrochloride
• Synonyms: 3-methylpyrrolidin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD22578685
• PubChem SID: 164299416
• PubChem CID: 69960100

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.050699
• LogD (pH = 7.4): -4.235166
• Log P: -0.7610837
• Molar Refractivity: 29.848 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.331

Product Information

• Purity: 95%