1,3,3-trimethylpiperazine dihydrochloride

• ChemBase ID: 144000
• Molecular Formular: C7H18Cl2N2
• Molecular Mass: 201.13722
• Monoisotopic Mass: 200.08470395
• SMILES: CC1(CN(CCN1)C)C.Cl.Cl
• Canonical SMILES: CN1CCNC(C1)(C)C.Cl.Cl
• InChI: InChI=1S/C7H16N2.2ClH/c1-7(2)6-9(3)5-4-8-7;;/h8H,4-6H2,1-3H3;2*1H
• InChIKey: YFTRYOMGQYCFPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trimethylpiperazine dihydrochloride
• IUPAC Traditional name: 1,3,3-trimethylpiperazine dihydrochloride
• Synonyms: 1,3,3-Trimethylpiperazine dihydrochloride

Database IDs

• MDL Number: MFCD09864387
• PubChem SID: 162238217
• PubChem CID: 53398806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2405155
• LogD (pH = 7.4): -1.9759624
• Log P: 0.3513928
• Molar Refractivity: 39.8005 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H18Cl2N2

DETAILS

Sigma Aldrich - CBR00658

Other Notes
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Legal Information
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