2-(aminomethyl)pyridin-3-amine

• ChemBase ID: 806174
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1c(nccc1)CN
• Canonical SMILES: NCc1ncccc1N
• InChI: InChI=1S/C6H9N3/c7-4-6-5(8)2-1-3-9-6/h1-3H,4,7-8H2
• InChIKey: JNMQCKCNKPZZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)pyridin-3-amine
• IUPAC Traditional name: 2-(aminomethyl)pyridin-3-amine
• Synonyms: 2-AMINOMETHYL-PYRIDIN-3-YLAMINE

Database IDs

• CAS Number: 144288-50-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3406198
• LogD (pH = 7.4): -1.6539638
• Log P: -0.86611223
• Molar Refractivity: 36.5527 cm^3
• Polarizability: 13.934114 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%