5-(aminomethyl)pyridin-2-amine

• ChemBase ID: 88638
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(ccc(c1)CN)N
• Canonical SMILES: NCc1ccc(nc1)N
• InChI: InChI=1S/C6H9N3/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3,7H2,(H2,8,9)
• InChIKey: PHBVTMQLXNCAQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)pyridin-2-amine
• IUPAC Traditional name: 5-(aminomethyl)pyridin-2-amine
• Synonyms: 5-(Aminomethyl)pyridin-2-amine; (6-Aminopyridin-3-yl)methylamine; 2-Amino-5-(aminomethyl)pyridine

Database IDs

• CAS Number: 156973-09-0
• MDL Number: MFCD06213156
• PubChem SID: 162075559
• PubChem CID: 15766771

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4015288
• LogD (pH = 7.4): -2.22817
• Log P: -0.3531266
• Molar Refractivity: 37.3884 cm^3
• Polarizability: 13.932716 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon