(4-methylpyridin-2-yl)methanamine

• ChemBase ID: 90805
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(cc(cc1)C)CN
• Canonical SMILES: Cc1cc(CN)ncc1
• InChI: InChI=1S/C7H10N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,5,8H2,1H3
• InChIKey: QVDFBCYBLHPIOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (4-methylpyridin-2-yl)methanamine
• Synonyms: (4-Methylpyridin-2-yl)methylamine; 2-(Aminomethyl)-4-picoline; 2-(Aminomethyl)-4-methylpyridine 95%; (4-METHYLPYRIDIN-2-YL)METHANAMINE; 1-(4-methyl-2-pyridinyl)methanamine

Database IDs

• CAS Number: 129768-95-2
• MDL Number: MFCD06213857
• PubChem SID: 162077536
• PubChem CID: 15144432

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: Corrosive/Harmful/Store under Argon

Product Information

• Purity: 98%