methyl 2-[methyl(pyridin-2-yl)amino]acetate

• ChemBase ID: 293317
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: O=C(OC)CN(C)c1ncccc1
• Canonical SMILES: COC(=O)CN(c1ccccn1)C
• InChI: InChI=1S/C9H12N2O2/c1-11(7-9(12)13-2)8-5-3-4-6-10-8/h3-6H,7H2,1-2H3
• InChIKey: WMVHRPVEMXIEQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[methyl(pyridin-2-yl)amino]acetate
• IUPAC Traditional name: methyl 2-[methyl(pyridin-2-yl)amino]acetate
• Synonyms: Methyl 2-(methyl(pyridin-2-yl)amino)acetate

Database IDs

• CAS Number: 1250236-70-4
• MDL Number: MFCD16151670
• PubChem SID: 180678848
• PubChem CID: 60660056

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.078351
• LogD (pH = 7.4): 1.0819066
• Log P: 1.0819521
• Molar Refractivity: 49.4969 cm^3
• Polarizability: 18.704134 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%