1,2,2-trimethylpiperazine hydrochloride

• ChemBase ID: 63859
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: C1CNCC(N1C)(C)C.Cl
• Canonical SMILES: CN1CCNCC1(C)C.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-7(2)6-8-4-5-9(7)3;/h8H,4-6H2,1-3H3;1H
• InChIKey: AWYYVHSHGGSKCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,2-trimethylpiperazine hydrochloride
• IUPAC Traditional name: 1,2,2-trimethylpiperazine hydrochloride
• Synonyms: 1,2,2-Trimethylpiperazine hydrochloride

Database IDs

• CAS Number: 932047-03-5
• MDL Number: MFCD09864551
• PubChem SID: 162029598
• PubChem CID: 53346553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3232193
• LogD (pH = 7.4): -2.0819802
• 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%