6-(aminomethyl)pyridin-2-amine

• ChemBase ID: 264919
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(N)cccc1CN
• Canonical SMILES: NCc1cccc(n1)N
• InChI: InChI=1S/C6H9N3/c7-4-5-2-1-3-6(8)9-5/h1-3H,4,7H2,(H2,8,9)
• InChIKey: UTKGYZXUDZUKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)pyridin-2-amine
• IUPAC Traditional name: 6-(aminomethyl)pyridin-2-amine
• Synonyms: 6-(aminomethyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD16547512
• PubChem SID: 164320829
• PubChem CID: 17958963

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.069579
• LogD (pH = 7.4): -1.5104518
• Log P: -0.2716547
• Molar Refractivity: 36.8662 cm^3
• Polarizability: 13.933529 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): -0.73

Product Information

• Purity: 95%