(6-methylpyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 240031
• Molecular Formular: C7H11ClN2
• Molecular Mass: 158.62864
• Monoisotopic Mass: 158.06107604
• SMILES: n1c(CN)cccc1C.Cl
• Canonical SMILES: NCc1cccc(n1)C.Cl
• InChI: InChI=1S/C7H10N2.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5,8H2,1H3;1H
• InChIKey: AKRHDUMLUMKGNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (6-methylpyridin-2-yl)methanamine hydrochloride
• Synonyms: (6-methylpyridin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1365836-53-8
• MDL Number: MFCD09878926
• PubChem SID: 164295941
• PubChem CID: 70700951

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6541448
• LogD (pH = 7.4): -1.0896844
• Log P: 0.094183885
• Molar Refractivity: 36.4438 cm^3
• Polarizability: 14.571964 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.096

Product Information

• Purity: 95%; 95+%