N,N-dimethyl-2-(piperazin-1-yl)acetamide

• ChemBase ID: 18952
• Molecular Formular: C8H17N3O
• Molecular Mass: 171.24008
• Monoisotopic Mass: 171.13716218
• SMILES: C(=O)(CN1CCNCC1)N(C)C
• Canonical SMILES: CN(C(=O)CN1CCNCC1)C
• InChI: InChI=1S/C8H17N3O/c1-10(2)8(12)7-11-5-3-9-4-6-11/h9H,3-7H2,1-2H3
• InChIKey: JJEMPZXXGBIJIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-(piperazin-1-yl)acetamide
• Synonyms: N,N-dimethyl-2-(piperazin-1-yl)acetamide; N,N-Dimethyl-2-piperazin-1-yl-acetamide; N,N-Dimethyl-2-(piperazin-1-yl)acetamide-97%; N,N-dimethyl-2-piperazin-1-ylacetamide

Database IDs

• CAS Number: 39890-43-2; 39890-43-2
• MDL Number: MFCD01075232
• PubChem SID: 160982259
• PubChem CID: 2758642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2629952
• LogD (pH = 7.4): -2.759749
• Log P: -1.2273661
• Molar Refractivity: 48.4437 cm^3
• Polarizability: 18.999018 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35 - 37°C
• Boiling Point: 105-109°C
• Hydrophobicity(logP): -0.538

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%