2-(4-Boc-piperazinyl)-2-(3-cyanophenyl)acetic acid

Base Information

• Chemical Name: 2-(4-Boc-piperazinyl)-2-(3-cyanophenyl)acetic acid
• CAS No.: 885274-33-9
• Molecular Formula: C18H23 N3 O4
• Molecular Weight: 345.39
• DSSTox Substance ID: DTXSID40376110
• Mol file: 885274-33-9.mol

Synonyms:885274-33-9;2-(4-boc-piperazinyl)-2-(3-cyanophenyl)acetic acid;2-(4-Boc-piperazinyl)-2-(3-cyano-phenyl)acetic acid;2-(3-cyanophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic Acid;2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(3-cyanophenyl)acetic acid;1-Piperazineaceticacid, a-(3-cyanophenyl)-4-[(1,1-dimethylethoxy)carbonyl]-;DTXSID40376110;MFCD06659348;AKOS015949894;AS-81774;Phthalicacidbis(cis-3,3,5-trimethylcyclohexyl)ester;2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(3-cyanophenyl)aceticacid

Chemical Property of 2-(4-Boc-piperazinyl)-2-(3-cyanophenyl)acetic acid

Chemical Property:

• Boiling Point: 481.7±45.0 °C(Predicted)
• PKA: 1.68±0.10(Predicted)
• PSA: 93.87000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 2.11248
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 345.16885622
• Heavy Atom Count: 25
• Complexity: 540

Purity/Quality:

98.5% ^*data from raw suppliers

2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-(3-cyanophenyl)aceticacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC(=C2)C#N)C(=O)O