methyl 2-[2-(dimethylamino)ethoxy]benzoate

• ChemBase ID: 92197
• Molecular Formular: C12H17NO3
• Molecular Mass: 223.26828
• Monoisotopic Mass: 223.12084341
• SMILES: O(C(=O)c1ccccc1OCCN(C)C)C
• Canonical SMILES: COC(=O)c1ccccc1OCCN(C)C
• InChI: InChI=1S/C12H17NO3/c1-13(2)8-9-16-11-7-5-4-6-10(11)12(14)15-3/h4-7H,8-9H2,1-3H3
• InChIKey: YYHIRPUVYUUCTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[2-(dimethylamino)ethoxy]benzoate
• IUPAC Traditional name: methyl 2-[2-(dimethylamino)ethoxy]benzoate
• Synonyms: methyl 2-[2-(dimethylamino)ethoxy]benzoate; Methyl 2-[2-(dimethylamino)ethoxy]benzoate 97%

Database IDs

• CAS Number: 18167-29-8
• MDL Number: MFCD08690292
• PubChem SID: 162078895
• PubChem CID: 15390903

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.156677
• LogD (pH = 7.4): 0.5608909
• Log P: 1.8376961
• Molar Refractivity: 62.5656 cm^3
• Polarizability: 24.318287 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%