5-methylpyridin-3-amine hydrochloride

• ChemBase ID: 90097
• Molecular Formular: C6H9ClN2
• Molecular Mass: 144.60206
• Monoisotopic Mass: 144.04542598
• SMILES: n1cc(cc(c1)C)N.Cl
• Canonical SMILES: Cc1cncc(c1)N.Cl
• InChI: InChI=1S/C6H8N2.ClH/c1-5-2-6(7)4-8-3-5;/h2-4H,7H2,1H3;1H
• InChIKey: ANOSXCQXGIARSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 5-methylpyridin-3-amine hydrochloride
• Synonyms: 5-Methylpyridin-3-amine hydrochloride; 3-Amino-5-methylpyridine hydrochloride

Database IDs

• CAS Number: 957065-90-6
• MDL Number: MFCD09878433
• PubChem SID: 162076952
• PubChem CID: 44119582

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.19258697
• LogD (pH = 7.4): 0.41218418
• Log P: 0.4400688
• Molar Refractivity: 33.6427 cm^3
• Polarizability: 12.334603 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant