2-amino-N-(2-methoxyethyl)-2-methylpropanamide hydrochloride

• ChemBase ID: 49519
• Molecular Formular: C7H17ClN2O2
• Molecular Mass: 196.67508
• Monoisotopic Mass: 196.09785547
• SMILES: C(=O)(C(N)(C)C)NCCOC.Cl
• Canonical SMILES: COCCNC(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C7H16N2O2.ClH/c1-7(2,8)6(10)9-4-5-11-3;/h4-5,8H2,1-3H3,(H,9,10);1H
• InChIKey: DVXBGNSRGAIOQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methoxyethyl)-2-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2-methoxyethyl)-2-methylpropanamide hydrochloride
• Synonyms: 2-Amino-N-(2-methoxyethyl)-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562513
• PubChem SID: 162054282
• PubChem CID: 56832083

CALCULATED PROPERTIES

• Acid pKa: 15.712647
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5598652
• LogD (pH = 7.4): -2.035919
• Log P: -0.7761875
• Molar Refractivity: 42.973 cm^3
• Polarizability: 17.066732 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false