2-amino-N-(2-hydroxyethyl)-N,2-dimethylpropanamide hydrochloride

• ChemBase ID: 48845
• Molecular Formular: C7H17ClN2O2
• Molecular Mass: 196.67508
• Monoisotopic Mass: 196.09785547
• SMILES: C(=O)(C(N)(C)C)N(CCO)C.Cl
• Canonical SMILES: OCCN(C(=O)C(N)(C)C)C.Cl
• InChI: InChI=1S/C7H16N2O2.ClH/c1-7(2,8)6(11)9(3)4-5-10;/h10H,4-5,8H2,1-3H3;1H
• InChIKey: TWWJZOUWUVAINP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-hydroxyethyl)-N,2-dimethylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2-hydroxyethyl)-N,2-dimethylpropanamide hydrochloride
• Synonyms: 2-Amino-N-(2-hydroxyethyl)-N,2-dimethylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562094
• PubChem SID: 162053608
• PubChem CID: 53409056

CALCULATED PROPERTIES

• Acid pKa: 15.574753
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9763086
• LogD (pH = 7.4): -2.4489942
• Log P: -1.195638
• Molar Refractivity: 43.1185 cm^3
• Polarizability: 16.996344 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false