2,2-dimethylpiperazine

• ChemBase ID: 68960
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1C(CNCC1)(C)C
• Canonical SMILES: CC1(C)CNCCN1
• InChI: InChI=1S/C6H14N2/c1-6(2)5-7-3-4-8-6/h7-8H,3-5H2,1-2H3
• InChIKey: PIPWSBOFSUJCCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpiperazine
• IUPAC Traditional name: 2,2-dimethylpiperazine
• Synonyms: 2,2-Dimethylpiperazine

Database IDs

• CAS Number: 84477-72-5
• MDL Number: MFCD06798288
• PubChem SID: 162034690
• PubChem CID: 14664186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5017083
• LogD (pH = 7.4): -2.3455305
• Log P: -0.031655136
• Molar Refractivity: 34.5058 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.446

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%