2-amino-N-(4-methoxyphenyl)acetamide hydrochloride

• ChemBase ID: 50032
• Molecular Formular: C9H13ClN2O2
• Molecular Mass: 216.66472
• Monoisotopic Mass: 216.06655535
• SMILES: C(=O)(Nc1ccc(cc1)OC)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)OC.Cl
• InChI: InChI=1S/C9H12N2O2.ClH/c1-13-8-4-2-7(3-5-8)11-9(12)6-10;/h2-5H,6,10H2,1H3,(H,11,12);1H
• InChIKey: MGOKSQCFMCMTFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-methoxyphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(4-methoxyphenyl)acetamide hydrochloride
• Synonyms: 2-Amino-N-(4-methoxyphenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562841
• PubChem SID: 162054795
• PubChem CID: 45918044

CALCULATED PROPERTIES

• Acid pKa: 14.008403
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2439044
• LogD (pH = 7.4): -0.54949266
• Log P: 0.12915507
• Molar Refractivity: 50.7439 cm^3
• Polarizability: 19.25291 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: HCl