3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid

Base Information

• Chemical Name: 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid
• CAS No.: 904818-03-7
• Molecular Formula: C16H23N3O4
• Molecular Weight: 321.37
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00378130
• Wikidata: Q82167636
• Mol file: 904818-03-7.mol

Synonyms:904818-03-7;3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid;4-(2-Amino-6-carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;3-Amino-2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}benzoic acid;MFCD06245574;DTXSID00378130;AKOS005257378;CC(C)(C)OC(=O)N1CCN(CC1)C1=C(N)C=CC=C1C(O)=O;4-(2-Amino-6-carboxyphenyl)-piperazine-1-carboxylic acid tert-butyl ester;4-(2-amino-6-carboxyphenyl)piperazine-1-carboxylic acid tert-butyl ester

Chemical Property of 3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid

Chemical Property:

• Vapor Pressure: 6.29E-11mmHg at 25°C
• Boiling Point: 502.7°C at 760 mmHg
• Flash Point: 257.8°C
• PSA: 96.10000
• Density: 1.261g/cm³
• LogP: 2.60820
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 321.16885622
• Heavy Atom Count: 23
• Complexity: 441

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2N)C(=O)O