3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid

Base Information

• Chemical Name: 3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid
• CAS No.: 395090-68-3
• Molecular Formula: C9H13NO2
• Molecular Weight: 167.205
• Hs Code.: 2933990090
• European Community (EC) Number: 674-455-4
• Mol file: 395090-68-3.mol

Synonyms:3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid;395090-68-3;3-methyl-3-pyrrol-1-ylbutanoic acid;3-METHYL-3-(1H-PYRROL-1-YL)BUTANOICACID;Peakdale1_000647;SCHEMBL1132885;HMS519N09;VQA09068;MFCD00232890;AKOS006229368;FS-1759;SB62217;A,A-Dimethyl-1H-pyrrole-1-propanoic acid;CS-0316020;FT-0676507;A824584;3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid, AldrichCPR

Chemical Property of 3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid

Chemical Property:

• Melting Point: 70-72 °C
• Boiling Point: 293.2 °C at 760 mmHg
• Flash Point: 131.1 °C
• PSA: 42.23000
• Density: 1.05 g/cm³
• LogP: 1.69790
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC(=O)O)N1C=CC=C1