4-(aminomethyl)pyridin-3-amine

• ChemBase ID: 804553
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1cnccc1CN
• Canonical SMILES: NCc1ccncc1N
• InChI: InChI=1S/C6H9N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3,7-8H2
• InChIKey: FPKNYDPZJJXIMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)pyridin-3-amine
• IUPAC Traditional name: 4-(aminomethyl)pyridin-3-amine
• Synonyms: 4-AMINOMETHYL-PYRIDIN-3-YLAMINE

Database IDs

• CAS Number: 144288-49-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8191307
• LogD (pH = 7.4): -2.410154
• Log P: -0.94758415
• Molar Refractivity: 37.0749 cm^3
• Polarizability: 13.933052 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%