N-(5-amino-2-methoxyphenyl)formamide

• ChemBase ID: 172876
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(cc(c(cc1)OC)NC=O)N
• Canonical SMILES: COc1ccc(cc1NC=O)N
• InChI: InChI=1S/C8H10N2O2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-5H,9H2,1H3,(H,10,11)
• InChIKey: GAPCMYIHVRFISC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)formamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)formamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)formamide; 2-Methoxy-5-aminoformanilide

Database IDs

• CAS Number: 78939-34-1
• PubChem SID: 164228786
• PubChem CID: 11105716

CALCULATED PROPERTIES

• Acid pKa: 13.078836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.117405914
• LogD (pH = 7.4): 0.17487462
• Log P: 0.17566025
• Molar Refractivity: 47.5941 cm^3
• Polarizability: 17.040567 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Ethanol; Ethyl Acetate; Methanol
• Apperance: White Crystalline Solid