3-Tert-butylbenzamide

Base Information

• Chemical Name: 3-Tert-butylbenzamide
• CAS No.: 40782-26-1
• Molecular Formula: C₁₁H₁₅NO
• Molecular Weight: 177.246
• NSC Number: 86593
• DSSTox Substance ID: DTXSID10961198
• Nikkaji Number: J2.699.538H
• Wikidata: Q82942555
• Mol file: 40782-26-1.mol

Synonyms:3-tert-butylbenzamide;40782-26-1;Benzamide,3-(1,1-dimethylethyl)-;NSC86593;NCIOpen2_001107;SCHEMBL179447;DTXSID10961198;NSC-86593;AKOS006289649;3-tert-Butylbenzene-1-carboximidic acid;TS-02464

Chemical Property of 3-Tert-butylbenzamide

Chemical Property:

• Vapor Pressure: 0.00328mmHg at 25°C
• Boiling Point: 282.8°Cat760mmHg
• Flash Point: 124.8°C
• Density: 1.013g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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