4-(Isobutylamino)-3-nitrobenzoic acid

Base Information

• Chemical Name: 4-(Isobutylamino)-3-nitrobenzoic acid
• CAS No.: 234751-05-4
• Molecular Formula: C11H14N2O4
• Molecular Weight: 238.24
• DSSTox Substance ID: DTXSID401253232
• Nikkaji Number: J1.180.119F
• Mol file: 234751-05-4.mol

Synonyms:4-(ISOBUTYLAMINO)-3-NITROBENZOIC ACID;234751-05-4;4-[(2-methylpropyl)amino]-3-nitrobenzoic acid;4-(2-methylpropylamino)-3-nitrobenzoic acid;Oprea1_214958;DTXSID401253232;AKOS000214546;SB80672;4-(ISOBUTYLAMINO)-3-NITROBENZOICACID;EU-0062804;SR-01000575321;SR-01000575321-1

Chemical Property of 4-(Isobutylamino)-3-nitrobenzoic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 238.09535693
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

4-(Isobutylamino)-3-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]