2-N,2-N-dimethylpyridine-2,5-diamine dihydrochloride

• ChemBase ID: 70842
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: c1(ccc(cn1)N)N(C)C.Cl.Cl
• Canonical SMILES: Nc1ccc(nc1)N(C)C.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-10(2)7-4-3-6(8)5-9-7;;/h3-5H,8H2,1-2H3;2*1H
• InChIKey: HIOPYIJWLYLCAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylpyridine-2,5-diamine dihydrochloride; N2,N2-dimethylpyridine-2,5-diamine dihydrochloride
• IUPAC Traditional name: 2-N,2-N-dimethylpyridine-2,5-diamine dihydrochloride; N2,N2-dimethylpyridine-2,5-diamine dihydrochloride
• Synonyms: N2,N2-Dimethylpyridine-2,5-diamine dihydrochloride

Database IDs

• CAS Number: 26878-31-9
• MDL Number: MFCD09908196
• PubChem SID: 162036551
• PubChem CID: 5743413

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.55642766
• LogD (pH = 7.4): 0.50134706
• Log P: 0.62914884
• Molar Refractivity: 43.3436 cm^3
• Polarizability: 15.389099 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

Product Information

• Purity: 95+%; 98%