2-amino-N-(2-hydroxyethyl)-N-methylacetamide hydrochloride

• ChemBase ID: 48703
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)(N(CCO)C)CN.Cl
• Canonical SMILES: OCCN(C(=O)CN)C.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-7(2-3-8)5(9)4-6;/h8H,2-4,6H2,1H3;1H
• InChIKey: NCFBKDHGVQRFGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561972
• PubChem SID: 162053466
• PubChem CID: 56831793

CALCULATED PROPERTIES

• Acid pKa: 15.574783
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.685294
• LogD (pH = 7.4): -3.0012457
• Log P: -2.197168
• Molar Refractivity: 33.9113 cm^3
• Polarizability: 13.33517 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