methyl(pyridin-4-ylmethyl)amine

• ChemBase ID: 29685
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: N(Cc1ccncc1)C
• Canonical SMILES: CNCc1ccncc1
• InChI: InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3
• InChIKey: DNBWGFKLIBQQSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pyridin-4-ylmethyl)amine; methyl[(pyridin-4-yl)methyl]amine
• IUPAC Traditional name: methyl(pyridin-4-ylmethyl)amine
• Synonyms: N-Methyl-4-pyridylmethylamine; N-methyl-N-(4-pyridinylmethyl)amine; N-methyl-N-(pyridin-4-ylmethyl)amine; N-METHYL-N-(4-PYRIDYLMETHYL)AMINE

Database IDs

• CAS Number: 6971-44-4
• MDL Number: MFCD00066937
• PubChem SID: 160992992
• PubChem CID: 81436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8293426
• LogD (pH = 7.4): -1.6012797
• Log P: 0.31392223
• Molar Refractivity: 37.1491 cm^3
• Polarizability: 14.6500225 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.013

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%