1-(4-Methylbenzoyl)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(4-Methylbenzoyl)piperidine-4-carboxylic acid
• CAS No.: 401581-34-8
• Molecular Formula: C14H17 N O3
• Molecular Weight: 247.29
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10354647
• Wikidata: Q82132911
• Mol file: 401581-34-8.mol

Synonyms:1-(4-methylbenzoyl)piperidine-4-carboxylic acid;401581-34-8;1-(4-Methyl-benzoyl)-piperidine-4-carboxylic acid;1-(4-methylbenzoyl)-4-piperidinecarboxylic acid;1-[(4-methylphenyl)carbonyl]piperidine-4-carboxylic acid;Cambridge id 7355706;SCHEMBL6747296;DTXSID10354647;HMS1683O02;Pyrrolidine, 1-(4-bromophenyl)-;MFCD03015384;STK502157;AKOS000126546;CCG-324228;MB02560;SDCCGMLS-0065023.P001;LS-03091;CS-0312843;FT-0769012;AK-918/13495037

Chemical Property of 1-(4-Methylbenzoyl)piperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.4E-09mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 462.3°C at 760 mmHg
• PKA: 4.45±0.20(Predicted)
• Flash Point: 233.4°C
• PSA: 57.61000
• Density: 1.217g/cm³
• LogP: 1.86970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.12084340
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-Methylbenzoyl)piperidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O