4-N,4-N-dimethylpyridine-3,4-diamine

• ChemBase ID: 259198
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(c(N)cncc1)N(C)C
• Canonical SMILES: CN(c1ccncc1N)C
• InChI: InChI=1S/C7H11N3/c1-10(2)7-3-4-9-5-6(7)8/h3-5H,8H2,1-2H3
• InChIKey: MATHJYKIAVEEOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10690384
• PubChem SID: 164315108
• PubChem CID: 14088946

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.94975996
• LogD (pH = 7.4): -0.88861024
• Log P: 0.034691293
• Molar Refractivity: 43.0301 cm^3
• Polarizability: 15.386276 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.032

Product Information

• Purity: 95%