2-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylpropanamide hydrochloride

• ChemBase ID: 48850
• Molecular Formular: C8H19ClN2O2
• Molecular Mass: 210.70166
• Monoisotopic Mass: 210.11350554
• SMILES: C(=O)(C(N)(C)C)N(CCO)CC.Cl
• Canonical SMILES: OCCN(C(=O)C(N)(C)C)CC.Cl
• InChI: InChI=1S/C8H18N2O2.ClH/c1-4-10(5-6-11)7(12)8(2,3)9;/h11H,4-6,9H2,1-3H3;1H
• InChIKey: NFPXOOJSJQCRFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562099
• PubChem SID: 162053613
• PubChem CID: 53409095

CALCULATED PROPERTIES

• Acid pKa: 15.574181
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6193616
• LogD (pH = 7.4): -2.091893
• Log P: -0.83883
• Molar Refractivity: 47.8671 cm^3
• Polarizability: 18.831045 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false