N-[4-(cyanomethyl)phenyl]-3-methylbenzamide

Base Information

• Chemical Name: N-[4-(cyanomethyl)phenyl]-3-methylbenzamide
• CAS No.: 663937-55-1
• Molecular Formula: C16H14N2O
• Molecular Weight: 250.29516
• DSSTox Substance ID: DTXSID80351704
• Wikidata: Q82128317
• Mol file: 663937-55-1.mol

Synonyms:N-[4-(cyanomethyl)phenyl]-3-methylbenzamide;663937-55-1;DTXSID80351704;XCQFQJPSHTVDRE-UHFFFAOYSA-N;STK698089;AKOS000574421;Benzamide, N-(4-cyanomethylphenyl)-3-methyl-;benzamide,N-[4-(cyanomethyl)phenyl]-3-methyl-;Z90993738

Chemical Property of N-[4-(cyanomethyl)phenyl]-3-methylbenzamide

Chemical Property:

• Boiling Point: 367.4±35.0 °C(Predicted)
• PKA: 13?+-.0.70(Predicted)
• PSA: 52.89000
• Density: 1.187±0.06 g/cm3(Predicted)
• LogP: 3.38638
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.110613074
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

BENZAMIDE, N-[4-(CYANOMETHYL)PHENYL]-3-METHYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)CC#N