N,4-dimethylpyridin-2-amine hydrochloride

• ChemBase ID: 282620
• Molecular Formular: C7H11ClN2
• Molecular Mass: 158.62864
• Monoisotopic Mass: 158.06107604
• SMILES: n1c(NC)cc(cc1)C.Cl
• Canonical SMILES: CNc1nccc(c1)C.Cl
• InChI: InChI=1S/C7H10N2.ClH/c1-6-3-4-9-7(5-6)8-2;/h3-5H,1-2H3,(H,8,9);1H
• InChIKey: XPWSDNFBTLZYDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethylpyridin-2-amine hydrochloride
• IUPAC Traditional name: N,4-dimethylpyridin-2-amine hydrochloride
• Synonyms: N,4-dimethylpyridin-2-amine hydrochloride

Database IDs

• MDL Number: MFCD20441632
• PubChem SID: 180668151
• PubChem CID: 54595444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.032591533
• LogD (pH = 7.4): 1.0190338
• Log P: 1.3362304
• Molar Refractivity: 39.4496 cm^3
• Polarizability: 14.176479 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 1.615

Product Information

• Purity: 95%