1-tert-butylpiperazine

• ChemBase ID: 69760
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCNCC1)C(C)(C)C
• Canonical SMILES: CC(N1CCNCC1)(C)C
• InChI: InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
• InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butylpiperazine
• IUPAC Traditional name: 1-tert-butylpiperazine
• Synonyms: N-tert-Butyl Piperazine; 1-tert-Butylpiperazine; 2-Methyl-2-(piperazin-1-yl)propane; 1-(tert-Butyl)piperazine, tech; 1-(tert-Butyl)piperazine 98+%

Database IDs

• CAS Number: 38216-72-7
• MDL Number: MFCD00049359
• PubChem SID: 162035485
• PubChem CID: 3530572

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -2.7121587
• LogD (pH = 7.4): -1.8299516
• Log P: 0.70820075
• Molar Refractivity: 44.5491 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.999

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%