3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
• CAS No.: 134796-54-6
• Molecular Formula: C9H13NO2
• Molecular Weight: 167.21
• Hs Code.: 2933990090
• European Community (EC) Number: 837-927-2
• DSSTox Substance ID: DTXSID70354461
• Nikkaji Number: J2.377.810F
• Wikidata: Q82132626
• Mol file: 134796-54-6.mol

Synonyms:3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid;134796-54-6;3-(2,5-Dimethyl-pyrrol-1-yl)-propionic acid;3-(2,5-dimethylpyrrol-1-yl)propanoic acid;MFCD02223275;BAS 01191395;SCHEMBL7396846;DTXSID70354461;HMS1677K02;BBL036506;STL490852;AKOS000144086;SB62901;CS-0237747;E84124;EN300-186701;5Z-0827;A910187;Z245326704;3-(2,5-Dimethyl-1H-pyrrol-1-yl)propanoic acid, AldrichCPR

Chemical Property of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid

Chemical Property:

• PSA: 42.23000
• LogP: 1.57960
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

3-(2,5-Dimethyl-1H-pyrrol-1-yl)propanoic 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(N1CCC(=O)O)C