(5-methylpyridin-2-yl)methanamine

• ChemBase ID: 67441
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1(ccc(cn1)C)CN
• Canonical SMILES: NCc1ccc(cn1)C
• InChI: InChI=1S/C7H10N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,4,8H2,1H3
• InChIKey: NXTVBKWLOZSCQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (5-methylpyridin-2-yl)methanamine
• Synonyms: (5-Methylpyridin-2-yl)methanamine; 1-(5-methyl-2-pyridinyl)methanamine

Database IDs

• CAS Number: 161647-06-9; 45715-08-0
• MDL Number: MFCD08752541
• PubChem SID: 162033176
• PubChem CID: 11423586

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2711525
• LogD (pH = 7.4): -0.70884645
• Log P: 0.4762351
• Molar Refractivity: 36.8935 cm^3
• Polarizability: 14.571675 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%