2-(4-Boc-piperazine-1-carbonyl)benzoic acid

Base Information

• Chemical Name: 2-(4-Boc-piperazine-1-carbonyl)benzoic acid
• CAS No.: 651293-35-5
• Molecular Formula: C17H22 N2 O5
• Molecular Weight: 334.367
• DSSTox Substance ID: DTXSID80383823
• Wikidata: Q82175619
• Mol file: 651293-35-5.mol

Synonyms:651293-35-5;2-(4-Boc-piperazine-1-carbonyl)benzoic acid;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]benzoic acid;2-(4-(tert-Butoxycarbonyl)piperazine-1-carbonyl)benzoic acid;2-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}carbonyl)benzoic acid;Maybridge4_000323;HMS1521O15;Oprea1_521554;SCHEMBL1222509;DTXSID80383823;BJIBSCUTCOZJGB-UHFFFAOYSA-N;CCG-50044;IDI1_030905;BS-33471;CS-0205982;SR-01000639453-1;BRD-K28193832-001-01-8;2-(4-(tert-Butoxycarbonyl)piperazine-1-carbonyl)benzoicacid;2-([4-(TERT-BUTOXYCARBONYL)PIPERAZINO]CARBONYL)BENZOIC ACID;4-(2-carboxy-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester;1-Piperazinecarboxylicacid,4-(2-carboxybenzoyl)-,1-(1,1-dimethylethyl)ester

Chemical Property of 2-(4-Boc-piperazine-1-carbonyl)benzoic acid

Chemical Property:

• Boiling Point: 519.2 °C at 760 mmHg
• Flash Point: 267.8 °C
• PSA: 87.15000
• Density: 1.26 g/cm³
• LogP: 1.95350
• Water Solubility.: at 25 deg C (mg/L): 371.5
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 334.15287181
• Heavy Atom Count: 24
• Complexity: 492

Purity/Quality:

99% ^*data from raw suppliers

2-([4-(TERT-BUTOXYCARBONYL)PIPERAZINO]CARBONYL)BENZOIC ACID 98.00% ^*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(=O)C2=CC=CC=C2C(=O)O