5-(1-methylpyrrolidin-2-yl)pyridin-2-amine dihydrochloride

• ChemBase ID: 12529
• Molecular Formular: C10H17Cl2N3
• Molecular Mass: 250.16808
• Monoisotopic Mass: 249.07995292
• SMILES: c1(cnc(cc1)N)C1CCCN1C.Cl.Cl
• Canonical SMILES: CN1CCCC1c1ccc(nc1)N.Cl.Cl
• InChI: InChI=1S/C10H15N3.2ClH/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8;;/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12);2*1H
• InChIKey: UNWFVJCJELWPNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-methylpyrrolidin-2-yl)pyridin-2-amine dihydrochloride
• IUPAC Traditional name: 5-(1-methylpyrrolidin-2-yl)pyridin-2-amine dihydrochloride
• Synonyms: 5-(1-Methyl-pyrrolidin-2-yl)-pyridin-2-ylamine dihydrochloride

Database IDs

• CAS Number: 104395-87-1
• MDL Number: MFCD09475402
• PubChem SID: 160975836
• PubChem CID: 45074798

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1950793
• LogD (pH = 7.4): -0.49917275
• Log P: 0.92806625
• Molar Refractivity: 54.6689 cm^3
• Polarizability: 20.575428 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false