2-N,2-N-dimethylpyridine-2,4-diamine

• ChemBase ID: 286336
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(cc(N)ccn1)N(C)C
• Canonical SMILES: CN(c1nccc(c1)N)C
• InChI: InChI=1S/C7H11N3/c1-10(2)7-5-6(8)3-4-9-7/h3-5H,1-2H3,(H2,8,9)
• InChIKey: MTQLMFXHGFWFIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13190681
• PubChem SID: 180671867
• PubChem CID: 22727417

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.86052555
• LogD (pH = 7.4): -0.80247283
• Log P: 0.62914884
• Molar Refractivity: 43.3436 cm^3
• Polarizability: 15.385624 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 1.032

Product Information

• Purity: 95%