(6-methylpyridin-3-yl)methanamine

• ChemBase ID: 63508
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1(CN)cnc(C)cc1
• Canonical SMILES: NCc1ccc(nc1)C
• InChI: InChI=1S/C7H10N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,4,8H2,1H3
• InChIKey: NZPFQOXRHLUPRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpyridin-3-yl)methanamine
• IUPAC Traditional name: (6-methylpyridin-3-yl)methanamine
• Synonyms: (6-Methyl-3-pyridyl)methanamine; (6-methylpyridin-3-yl)methanamine

Database IDs

• CAS Number: 56622-54-9
• MDL Number: MFCD06212657
• PubChem SID: 162029247
• PubChem CID: 12214337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9479113
• LogD (pH = 7.4): -1.7822026
• Log P: 0.012711994
• Molar Refractivity: 36.966 cm^3
• Polarizability: 14.57109 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 0.096

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 98%