5-(aminomethyl)pyridin-3-amine

• ChemBase ID: 810555
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: C(N)c1cncc(c1)N
• Canonical SMILES: NCc1cncc(c1)N
• InChI: InChI=1S/C6H9N3/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,2,7-8H2
• InChIKey: CTFJYLZAHUEGGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)pyridin-3-amine
• IUPAC Traditional name: 5-(aminomethyl)pyridin-3-amine
• Synonyms: 5-AMINO-3-PYRIDINEMETHANAMINE

Database IDs

• CAS Number: 754129-80-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9155962
• LogD (pH = 7.4): -2.7993896
• Log P: -0.94758415
• Molar Refractivity: 37.0749 cm^3
• Polarizability: 13.933057 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%