N-(3-aminopropyl)pyridin-3-amine

• ChemBase ID: 307647
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1cc(NCCCN)ccc1
• Canonical SMILES: NCCCNc1cccnc1
• InChI: InChI=1S/C8H13N3/c9-4-2-6-11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6,9H2
• InChIKey: ZQMAVYVCEUHMSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)pyridin-3-amine
• IUPAC Traditional name: N-(3-aminopropyl)pyridin-3-amine
• Synonyms: N-pyridin-3-ylpropane-1,3-diamine

Database IDs

• CAS Number: 938459-11-1
• MDL Number: MFCD09055364

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8290746
• LogD (pH = 7.4): -2.8400366
• Log P: -0.50867254
• Molar Refractivity: 46.9101 cm^3
• Polarizability: 17.62515 Å^3
• Polar Surface Area: 50.94 Å^2