pyridine-2,4-diamine

• ChemBase ID: 68039
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(cc(ccn1)N)N
• Canonical SMILES: Nc1ccnc(c1)N
• InChI: InChI=1S/C5H7N3/c6-4-1-2-8-5(7)3-4/h1-3H,(H4,6,7,8)
• InChIKey: IFFLKGMDBKQMAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,4-diamine
• IUPAC Traditional name: 2,4-diaminopyridine
• Synonyms: Pyridine-2,4-diamine

Database IDs

• CAS Number: 461-88-1
• MDL Number: MFCD00234953
• PubChem SID: 162033771
• PubChem CID: 68036

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7977502
• LogD (pH = 7.4): -1.7573735
• Log P: -0.30782098
• Molar Refractivity: 33.6154 cm^3
• Polarizability: 11.704902 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0090

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%