2-amino-N,N-diethyl-2-phenylacetamide hydrochloride

• ChemBase ID: 261048
• Molecular Formular: C12H19ClN2O
• Molecular Mass: 242.74506
• Monoisotopic Mass: 242.11859092
• SMILES: C(=O)(C(c1ccccc1)N)N(CC)CC.Cl
• Canonical SMILES: CCN(C(=O)C(c1ccccc1)N)CC.Cl
• InChI: InChI=1S/C12H18N2O.ClH/c1-3-14(4-2)12(15)11(13)10-8-6-5-7-9-10;/h5-9,11H,3-4,13H2,1-2H3;1H
• InChIKey: ZIAUVLWYUYMDFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-diethyl-2-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N-diethyl-2-phenylacetamide hydrochloride
• Synonyms: 2-amino-N,N-diethyl-2-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD12197385
• PubChem SID: 164316958
• PubChem CID: 45791698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0277607
• LogD (pH = 7.4): 0.64587796
• Log P: 1.1429793
• Molar Refractivity: 61.4741 cm^3
• Polarizability: 24.11566 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 1.496

Product Information

• Purity: 95%