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

• ChemBase ID: 256962
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: c1(ncccc1N)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1ncccc1N)C.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-10(2)7-6(8)4-3-5-9-7;;/h3-5H,8H2,1-2H3;2*1H
• InChIKey: ZLVLCUDSVCVHRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylpyridine-2,3-diamine dihydrochloride
• IUPAC Traditional name: 2-N,2-N-dimethylpyridine-2,3-diamine dihydrochloride
• Synonyms: N~2~,N~2~-dimethylpyridine-2,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD11099535
• PubChem SID: 164312872
• PubChem CID: 42941131

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

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 1.032

Product Information

• Purity: 95%