2-amino-N-ethylacetamide hydrochloride

• ChemBase ID: 49242
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(NCC)CN.Cl
• Canonical SMILES: CCNC(=O)CN.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-2-6-4(7)3-5;/h2-3,5H2,1H3,(H,6,7);1H
• InChIKey: RSNDLRFBYCPDDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-ethylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-ethylacetamide hydrochloride
• Synonyms: 2-Amino-N-ethylacetamide hydrochloride

Database IDs

• CAS Number: 26595-78-8
• MDL Number: MFCD08060119
• PubChem SID: 162054005
• PubChem CID: 21257306

CALCULATED PROPERTIES

• Acid pKa: 16.064825
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8669882
• LogD (pH = 7.4): -2.1838274
• Log P: -1.3739341
• Molar Refractivity: 27.4709 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false