N-methyl-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 86951
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: N(C(=O)C)(Cc1cccnc1)C
• Canonical SMILES: CC(=O)N(Cc1cccnc1)C
• InChI: InChI=1S/C9H12N2O/c1-8(12)11(2)7-9-4-3-5-10-6-9/h3-6H,7H2,1-2H3
• InChIKey: UVUKRYCSGXKFEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N1-Methyl-N1-(pyrid-3ylmethyl)acetamide; N1-methyl-N1-(3-pyridylmethyl)acetamide

Database IDs

• CAS Number: 69966-50-3
• MDL Number: MFCD00052323
• PubChem SID: 162074067
• PubChem CID: 737345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.14842148
• LogD (pH = 7.4): -0.07714533
• Log P: -0.07613551
• Molar Refractivity: 46.715 cm^3
• Polarizability: 17.997934 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%