2,4,6-trimethylpyridin-3-amine hydrochloride

• ChemBase ID: 253584
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: n1c(c(c(cc1C)C)N)C.Cl
• Canonical SMILES: Cc1cc(C)c(c(n1)C)N.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-5-4-6(2)10-7(3)8(5)9;/h4H,9H2,1-3H3;1H
• InChIKey: NYHBIFHHMFAGOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trimethylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 2,4,6-trimethylpyridin-3-amine hydrochloride
• Synonyms: 2,4,6-trimethylpyridin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD09054663
• PubChem SID: 164309494
• PubChem CID: 17567356

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0475572
• LogD (pH = 7.4): 0.21116954
• Log P: 0.70280915
• Molar Refractivity: 42.8257 cm^3
• Polarizability: 15.865413 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270°C
• Hydrophobicity(logP): 1.715

Product Information

• Purity: 95%
• Salt Data: HCl