N-(3-aminopropyl)pyridin-4-amine

• ChemBase ID: 266338
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1ccc(NCCCN)cc1
• Canonical SMILES: NCCCNc1ccncc1
• InChI: InChI=1S/C8H13N3/c9-4-1-5-11-8-2-6-10-7-3-8/h2-3,6-7H,1,4-5,9H2,(H,10,11)
• InChIKey: CAJZWZJZDWIWJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)pyridin-4-amine
• IUPAC Traditional name: N-(3-aminopropyl)pyridin-4-amine
• Synonyms: N-(3-aminopropyl)pyridin-4-amine

Database IDs

• MDL Number: MFCD09932459
• PubChem SID: 164322248
• PubChem CID: 21683797

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.503384
• LogD (pH = 7.4): -3.7026048
• Log P: -0.50867254
• Molar Refractivity: 46.9101 cm^3
• Polarizability: 17.62052 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.801

Product Information

• Purity: 95%