N-benzyl-N-methyl-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 48777
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: C(=O)(N(Cc1ccccc1)C)CNC.Cl
• Canonical SMILES: CNCC(=O)N(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-12-8-11(14)13(2)9-10-6-4-3-5-7-10;/h3-7,12H,8-9H2,1-2H3;1H
• InChIKey: QROWVVKTHPFXME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-benzyl-N-methyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N-Benzyl-N-methyl-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562032
• PubChem SID: 162053540
• PubChem CID: 56831825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3258948
• LogD (pH = 7.4): -0.7744067
• Log P: 0.64998746
• Molar Refractivity: 57.0062 cm^3
• Polarizability: 22.272627 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false