2-(4-Boc-piperazinyl)-2-(2-methylphenyl)acetic acid

Base Information

• Chemical Name: 2-(4-Boc-piperazinyl)-2-(2-methylphenyl)acetic acid
• CAS No.: 444893-65-6
• Molecular Formula: C18H26N2O4
• Molecular Weight: 334.41
• DSSTox Substance ID: DTXSID50376101
• Mol file: 444893-65-6.mol

Synonyms:444893-65-6;2-(4-BOC-PIPERAZINYL)-2-(2-METHYLPHENYL)ACETIC ACID;2-(2-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic Acid;SCHEMBL5411562;SCHEMBL14593240;DTXSID50376101;KYHFHVGCLGBYNZ-UHFFFAOYSA-N;4-(Carboxy-o-tolyl-methyl)-piperazine-1-carboxylic acid tert-butyl ester

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

Chemical Property:

• PSA: 70.08000
• LogP: 2.54920
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 334.18925731
• Heavy Atom Count: 24
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(C(=O)O)N2CCN(CC2)C(=O)OC(C)(C)C