4-(4-Methylpiperidin-1-yl)-3-nitrobenzoic acid

Base Information

• Chemical Name: 4-(4-Methylpiperidin-1-yl)-3-nitrobenzoic acid
• CAS No.: 312921-75-8
• Molecular Formula: C13H16N2O4
• Molecular Weight: 264.27700
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10387834
• Mol file: 312921-75-8.mol

Synonyms:4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid;312921-75-8;4-(4-Methyl-piperidin-1-yl)-3-nitro-benzoic acid;4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid;Cambridge id 7000123;Oprea1_635383;AN-465/12850001;SCHEMBL4258399;DTXSID10387834;BBL023255;MFCD01797463;STK508169;AKOS000113912;VS-07368;BB 0244159;EU-0029379;FT-0678148;EN300-00045;4-(4-methylpiperidin-1-yl)-3-nitrobenzoicacid;3-nitro-4-(4-methyl-1-piperidinyl)benzoic acid;A875970;SR-01000576050;SR-01000576050-1;4-(4-Methyl-piperidin-1-yl)-3-nitro-benzoic acid;Z55984892

Chemical Property of 4-(4-Methylpiperidin-1-yl)-3-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 6.48E-09mmHg at 25°C
• Melting Point: 189-193oC
• Boiling Point: 450.8oC at 760 mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 226.5oC
• PSA: 86.36000
• Density: 1.282g/cm3
• LogP: 3.11750
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 264.11100700
• Heavy Atom Count: 19
• Complexity: 347

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Methylpiperidin-1-yl)-3-nitrobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]