6-(pyrrolidin-1-yl)pyridin-3-amine dihydrochloride

• ChemBase ID: 263028
• Molecular Formular: C9H15Cl2N3
• Molecular Mass: 236.1415
• Monoisotopic Mass: 235.06430286
• SMILES: c1(N2CCCC2)ncc(N)cc1.Cl.Cl
• Canonical SMILES: Nc1ccc(nc1)N1CCCC1.Cl.Cl
• InChI: InChI=1S/C9H13N3.2ClH/c10-8-3-4-9(11-7-8)12-5-1-2-6-12;;/h3-4,7H,1-2,5-6,10H2;2*1H
• InChIKey: XERTWFFVYVENOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyrrolidin-1-yl)pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 6-(pyrrolidin-1-yl)pyridin-3-amine dihydrochloride
• Synonyms: 6-(pyrrolidin-1-yl)pyridin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD13195945
• PubChem SID: 164318938
• PubChem CID: 45792220

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1153429
• LogD (pH = 7.4): 0.9237665
• Log P: 1.0349463
• Molar Refractivity: 50.8846 cm^3
• Polarizability: 18.343779 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 299 - 301°C
• Hydrophobicity(logP): 1.146

Product Information

• Purity: 95%