2-N,2-N-dimethylpyridine-2,5-diamine hydrochloride

• ChemBase ID: 292297
• Molecular Formular: C7H12ClN3
• Molecular Mass: 173.64328
• Monoisotopic Mass: 173.07197508
• SMILES: Cl.CN(C)c1ncc(N)cc1
• Canonical SMILES: Nc1ccc(nc1)N(C)C.Cl
• InChI: InChI=1S/C7H11N3.ClH/c1-10(2)7-4-3-6(8)5-9-7;/h3-5H,8H2,1-2H3;1H
• InChIKey: OJTBXVHQZOTMOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 119151-81-4
• PubChem SID: 180677828
• PubChem CID: 70701087

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

Product Information

• Purity: 95+%