2-N,2-N-dimethylpyridine-2,3-diamine

• ChemBase ID: 48504
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(ncccc1N)N(C)C
• Canonical SMILES: CN(c1ncccc1N)C
• InChI: InChI=1S/C7H11N3/c1-10(2)7-6(8)4-3-5-9-7/h3-5H,8H2,1-2H3
• InChIKey: IFJCSNNYWNTFDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylpyridine-2,3-diamine
• IUPAC Traditional name: 2-N,2-N-dimethylpyridine-2,3-diamine
• Synonyms: N2,N2-Dimethyl-2,3-pyridinediamine; N~2~,N~2~-dimethyl-2,3-pyridinediamine

Database IDs

• CAS Number: 5028-25-1
• MDL Number: MFCD09737533
• PubChem SID: 162053267
• PubChem CID: 15656134

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.61317503
• LogD (pH = 7.4): 0.46657807
• Log P: 0.62914884
• Molar Refractivity: 43.3436 cm^3
• Polarizability: 15.390464 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false