1-(3-Methyl-4-nitrophenyl)piperidine-3-carboxylic acid

Base Information

• Chemical Name: 1-(3-Methyl-4-nitrophenyl)piperidine-3-carboxylic acid
• CAS No.: 942474-63-7
• Molecular Formula: C13H16N2O4
• Molecular Weight: 264.27714
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00656026
• Mol file: 942474-63-7.mol

Synonyms:1-(3-Methyl-4-nitrophenyl)piperidine-3-carboxylic acid;942474-63-7;SCHEMBL14637949;DTXSID00656026;1-(3-METHYL-4-NITROPHENYL)PIPERIDINE-3-CARBOXYLICACID;AKOS009470077;FT-0754637

Chemical Property of 1-(3-Methyl-4-nitrophenyl)piperidine-3-carboxylic acid

Chemical Property:

• Melting Point: 160-162
• PSA: 86.36000
• LogP: 2.79240
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 264.11100700
• Heavy Atom Count: 19
• Complexity: 355

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Methyl-4-nitrophenyl)piperidine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N2CCCC(C2)C(=O)O)[N+](=O)[O-]