2-N-methylpyridine-2,5-diamine

• ChemBase ID: 259420
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(NC)ccc(c1)N
• Canonical SMILES: CNc1ccc(cn1)N
• InChI: InChI=1S/C6H9N3/c1-8-6-3-2-5(7)4-9-6/h2-4H,7H2,1H3,(H,8,9)
• InChIKey: XKEDDRXJMAVORI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-methylpyridine-2,5-diamine
• IUPAC Traditional name: 2-N-methylpyridine-2,5-diamine
• Synonyms: 2-N-methylpyridine-2,5-diamine

Database IDs

• CAS Number: 28020-36-2
• MDL Number: MFCD08692343
• PubChem SID: 164315330
• PubChem CID: 119790

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2624313
• LogD (pH = 7.4): -0.17931163
• Log P: -0.0061169076
• Molar Refractivity: 39.1088 cm^3
• Polarizability: 13.547973 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.789

Product Information

• Purity: 95%