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

• ChemBase ID: 265326
• Molecular Formular: C8H11ClN2O2
• Molecular Mass: 202.63814
• Monoisotopic Mass: 202.05090528
• SMILES: C(=O)(Nc1ccc(cc1)O)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)O.Cl
• InChI: InChI=1S/C8H10N2O2.ClH/c9-5-8(12)10-6-1-3-7(11)4-2-6;/h1-4,11H,5,9H2,(H,10,12);1H
• InChIKey: ITPOCBQCDDHRAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705732
• PubChem SID: 164321236
• PubChem CID: 21144199

CALCULATED PROPERTIES

• Acid pKa: 9.46526
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.3884716
• LogD (pH = 7.4): -0.6978109
• Log P: -0.18674001
• Molar Refractivity: 46.2616 cm^3
• Polarizability: 17.34492 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): -0.417

Product Information

• Purity: 95%