2-amino-N-ethylacetamide

• ChemBase ID: 246773
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=O)(NCC)CN
• Canonical SMILES: CCNC(=O)CN
• InChI: InChI=1S/C4H10N2O/c1-2-6-4(7)3-5/h2-3,5H2,1H3,(H,6,7)
• InChIKey: QCQZFSUBYDWVBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 62029-79-2
• MDL Number: MFCD06655350
• PubChem SID: 164302683
• PubChem CID: 4961971

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

Physical Property

• Melting Point: 194 - 198°C
• Hydrophobicity(logP): -1.076

Product Information

• Purity: 95%