6-(aminomethyl)pyridin-3-amine

• ChemBase ID: 811386
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1cc(ccc1CN)N
• Canonical SMILES: NCc1ccc(cn1)N
• InChI: InChI=1S/C6H9N3/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3,7-8H2
• InChIKey: YXDAMOUNDLMYLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)pyridin-3-amine
• IUPAC Traditional name: 6-(aminomethyl)pyridin-3-amine
• Synonyms: 6-(AMINOMETHYL)-3-AMINOPYRIDINE

Database IDs

• CAS Number: 771574-03-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6498232
• LogD (pH = 7.4): -2.1236448
• Log P: -0.86611223
• Molar Refractivity: 36.5527 cm^3
• Polarizability: 13.933841 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%