(4-methylpyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 88391
• Molecular Formular: C7H11ClN2
• Molecular Mass: 158.62864
• Monoisotopic Mass: 158.06107604
• SMILES: n1c(cc(cc1)C)CN.Cl
• Canonical SMILES: Cc1cc(CN)ncc1.Cl
• InChI: InChI=1S/C7H10N2.ClH/c1-6-2-3-9-7(4-6)5-8;/h2-4H,5,8H2,1H3;1H
• InChIKey: ACBUTUZFQBPVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylpyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-methylpyridin-2-yl)methanamine hydrochloride
• Synonyms: (4-Methylpyridin-2-yl)methylamine hydrochloride; 2-(Aminomethyl)-4-methylpyridine hydrochloride 95%

Database IDs

• PubChem SID: 162104640
• PubChem CID: 51341999

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2618537
• LogD (pH = 7.4): -0.69036686
• Log P: 0.4762351
• Molar Refractivity: 36.8935 cm^3
• Polarizability: 14.570092 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant