ethyl 2-amino-5-methoxybenzoate

• ChemBase ID: 69227
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(c1c(ccc(c1)OC)N)OCC
• Canonical SMILES: CCOC(=O)c1cc(OC)ccc1N
• InChI: InChI=1S/C10H13NO3/c1-3-14-10(12)8-6-7(13-2)4-5-9(8)11/h4-6H,3,11H2,1-2H3
• InChIKey: POJXEDATMPDTHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 64018-98-0
• MDL Number: MFCD11111632
• PubChem SID: 162034955
• PubChem CID: 21291483

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9960397
• LogD (pH = 7.4): 1.9969223
• Log P: 1.9969335
• Molar Refractivity: 53.9955 cm^3
• Polarizability: 20.262842 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%