2-amino-N-(2,4,6-trimethylphenyl)acetamide hydrochloride

• ChemBase ID: 235153
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: c1(NC(=O)CN)c(cc(cc1C)C)C.Cl
• Canonical SMILES: NCC(=O)Nc1c(C)cc(cc1C)C.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-7-4-8(2)11(9(3)5-7)13-10(14)6-12;/h4-5H,6,12H2,1-3H3,(H,13,14);1H
• InChIKey: AFAZOFONKQSJFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,4,6-trimethylphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2,4,6-trimethylphenyl)acetamide hydrochloride
• Synonyms: 2-amino-N-mesitylacetamide hydrochloride

Database IDs

• CAS Number: 92885-79-5
• MDL Number: MFCD07287973
• PubChem SID: 164291063
• PubChem CID: 12546858

CALCULATED PROPERTIES

• Acid pKa: 14.165979
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5459625
• LogD (pH = 7.4): 1.1484501
• Log P: 1.8270905
• Molar Refractivity: 59.4043 cm^3
• Polarizability: 22.028917 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.447

Product Information

• Purity: 95%
• Salt Data: HCl