3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid

Base Information

• Chemical Name: 3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid
• CAS No.: 433233-80-8
• Molecular Formula: C14H15 N O2
• Molecular Weight: 229.27
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20351708
• Wikidata: Q82128325
• Mol file: 433233-80-8.mol

Synonyms:433233-80-8;3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid;3-[5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid;3-(5-(p-Tolyl)-1H-pyrrol-2-yl)propanoic acid;3-(5-p-tolyl-1 h-pyrrol-2-yl)-propionic acid;Cambridge id 6860239;TimTec1_007247;Oprea1_331904;Oprea1_619375;DTXSID20351708;HMS1554J09;STK068605;AKOS000300207;SB62829;CS-0332282;EU-0014500;FT-0677093;3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid, AldrichCPR

Chemical Property of 3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid

Chemical Property:

• Vapor Pressure: 2.59E-08mmHg at 25°C
• Boiling Point: 434.3°Cat760mmHg
• Flash Point: 216.5°C
• PSA: 53.09000
• Density: g/cm³
• LogP: 3.00730
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 229.110278721
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

3-(5-p-Tolyl-1H-pyrrol-2-yl)-propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O