3-amino-4-methoxybenzaldehyde

• ChemBase ID: 294369
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: O=Cc1ccc(OC)c(N)c1
• Canonical SMILES: O=Cc1ccc(c(c1)N)OC
• InChI: InChI=1S/C8H9NO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,9H2,1H3
• InChIKey: IXWVKDLWPHIKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methoxybenzaldehyde
• IUPAC Traditional name: 3-amino-4-methoxybenzaldehyde
• Synonyms: 3-Amino-4-methoxybenzaldehyde

Database IDs

• CAS Number: 351003-10-6
• PubChem SID: 180679900
• PubChem CID: 14984642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.69616574
• LogD (pH = 7.4): 0.69911325
• Log P: 0.6991509
• Molar Refractivity: 43.8056 cm^3
• Polarizability: 15.884483 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%