2,6-dimethylpyridine-3,4-diamine

• ChemBase ID: 238693
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(c(nc(cc1N)C)C)N
• Canonical SMILES: Cc1cc(N)c(c(n1)C)N
• InChI: InChI=1S/C7H11N3/c1-4-3-6(8)7(9)5(2)10-4/h3H,9H2,1-2H3,(H2,8,10)
• InChIKey: DIRTVLYRIHDHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpyridine-3,4-diamine
• IUPAC Traditional name: 2,6-dimethylpyridine-3,4-diamine
• Synonyms: 2,6-dimethylpyridine-3,4-diamine

Database IDs

• MDL Number: MFCD13176241
• PubChem SID: 164294603
• PubChem CID: 20061001

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5543866
• LogD (pH = 7.4): -2.4124825
• Log P: -0.63953817
• Molar Refractivity: 42.4849 cm^3
• Polarizability: 15.233638 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.339

Product Information

• Purity: 95%