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

• ChemBase ID: 270375
• Molecular Formular: C9H15Cl2N3
• Molecular Mass: 236.1415
• Monoisotopic Mass: 235.06430286
• SMILES: N1(CC(CC1)N)c1cnccc1.Cl.Cl
• Canonical SMILES: NC1CCN(C1)c1cccnc1.Cl.Cl
• InChI: InChI=1S/C9H13N3.2ClH/c10-8-3-5-12(7-8)9-2-1-4-11-6-9;;/h1-2,4,6,8H,3,5,7,10H2;2*1H
• InChIKey: UPJISLUDXYKVQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17480378
• PubChem SID: 164326285
• PubChem CID: 50988405

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.285997
• LogD (pH = 7.4): -2.3257077
• Log P: 0.014835305
• Molar Refractivity: 48.8461 cm^3
• Polarizability: 18.734715 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.217

Product Information

• Purity: 95%