ethyl 2-amino-5-methylbenzoate

• ChemBase ID: 287224
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: O=C(OCC)c1cc(C)ccc1N
• Canonical SMILES: CCOC(=O)c1cc(C)ccc1N
• InChI: InChI=1S/C10H13NO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3,11H2,1-2H3
• InChIKey: OROMVXLWBWNXIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-5-methylbenzoate
• IUPAC Traditional name: ethyl 2-amino-5-methylbenzoate
• Synonyms: Ethyl 2-amino-5-methylbenzoate

Database IDs

• CAS Number: 58677-05-7
• PubChem SID: 180672755
• PubChem CID: 12327280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6675496
• LogD (pH = 7.4): 2.6680202
• Log P: 2.6680262
• Molar Refractivity: 52.5735 cm^3
• Polarizability: 19.493113 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%