2-amino-5-methoxybenzaldehyde

• ChemBase ID: 803577
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1(c(ccc(c1)OC)N)C=O
• Canonical SMILES: COc1ccc(c(c1)C=O)N
• InChI: InChI=1S/C8H9NO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,9H2,1H3
• InChIKey: OASRJXIYWZZNCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methoxybenzaldehyde
• IUPAC Traditional name: 2-amino-5-methoxybenzaldehyde
• Synonyms: 2-AMINO-5-METHOXYBENZALDEHYDE

Database IDs

• CAS Number: 26831-52-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3469042
• LogD (pH = 7.4): 1.3491225
• Log P: 1.3491509
• Molar Refractivity: 43.8056 cm^3
• Polarizability: 15.883914 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%