N-(4-aminobutyl)pyridin-2-amine

• ChemBase ID: 268502
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1c(NCCCCN)cccc1
• Canonical SMILES: NCCCCNc1ccccn1
• InChI: InChI=1S/C9H15N3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,6,8,10H2,(H,11,12)
• InChIKey: RAJSAPSERUGCBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminobutyl)pyridin-2-amine
• IUPAC Traditional name: N-(4-aminobutyl)pyridin-2-amine
• Synonyms: N-(4-aminobutyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD11869077
• PubChem SID: 164324412
• PubChem CID: 14397369

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4319882
• LogD (pH = 7.4): -2.067562
• Log P: 0.6031476
• Molar Refractivity: 51.8682 cm^3
• Polarizability: 19.46993 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.816

Product Information

• Purity: 95%