2-ethyl-1-(propan-2-yl)piperazine

• ChemBase ID: 144343
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: CCC1CNCCN1C(C)C
• Canonical SMILES: CCC1CNCCN1C(C)C
• InChI: InChI=1S/C9H20N2/c1-4-9-7-10-5-6-11(9)8(2)3/h8-10H,4-7H2,1-3H3
• InChIKey: PBGUJJXVCZDTGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-(propan-2-yl)piperazine
• IUPAC Traditional name: 2-ethyl-1-isopropylpiperazine
• Synonyms: 2-Ethyl-1-isopropylpiperazine; 2-ethyl-1-isopropylpiperazine

Database IDs

• CAS Number: 915923-03-4
• MDL Number: MFCD08060029
• PubChem SID: 162238558
• PubChem CID: 17837442

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0803425
• LogD (pH = 7.4): -1.3432372
• Log P: 1.3667215
• Molar Refractivity: 48.8537 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H20N2

DETAILS

Sigma Aldrich - CBR01100

Analysis Note
may contain trace amounts of carbonate
Other Notes
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Legal Information
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