N-ethyl-2-(piperazin-1-yl)acetamide

• ChemBase ID: 35508
• Molecular Formular: C8H17N3O
• Molecular Mass: 171.24008
• Monoisotopic Mass: 171.13716218
• SMILES: N1(CC(=O)NCC)CCNCC1
• Canonical SMILES: CCNC(=O)CN1CCNCC1
• InChI: InChI=1S/C8H17N3O/c1-2-10-8(12)7-11-5-3-9-4-6-11/h9H,2-7H2,1H3,(H,10,12)
• InChIKey: RJUPRYFFXQYDFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-ethyl-2-(piperazin-1-yl)acetamide
• Synonyms: N-Ethyl-2-piperazin-1-ylacetamide; N-ethyl-2-(piperazin-1-yl)acetamide

Database IDs

• CAS Number: 40004-11-3
• MDL Number: MFCD09048293
• PubChem SID: 160998815
• PubChem CID: 16395007

CALCULATED PROPERTIES

• Acid pKa: 15.997414
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1236005
• LogD (pH = 7.4): -2.621262
• Log P: -1.0942342
• Molar Refractivity: 48.2956 cm^3
• Polarizability: 18.999018 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): -0.439

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%