WHC is still in active development. Read this to understand our approach.
depiction of SUSQOBVLVYHIEX-UHFFFAOYSA-N.svg
isomerdesign

Benzyl cyanide

Check on isomerdesign

pubchem

Phenylacetonitrile

Check on pubchem

Data

InChI: InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

Synonyms: BnCN,J-519675,CCRIS 4698,omega-Cyanotoluene,CHEMBL3560735,phenylacetonitile,alpha-Tolunitrile,Benzeneacetonitrile, 9CI,Benzyl cyanide-[13C2],alpha-phenylacetonitrile,.alpha.-Tolunitrile,Toluene, alpha -cyano-,NCGC00090854-02,Tox21_200217,Phenylacetonitrile, liquid [UN2470] [Poison],Benzyl cyanide, >=99%,CAS-140-29-4,Benzylnitrile,UN 2470,Phenyl-acetonitrile,Phenyl acetyl nitrile,A807640,DSSTox_CID_1492,benzene acetonitrile,.omega.-Cyanotoluene,CHEBI:25979,STL199233,alpha-Cyanotoluene,Phenylacetonitrile, liquid,alpha-Cyano-Toluene,BB 0304017,alpha -cyano-,MFCD00001894,Benzyl nitrile,AI3-04975,Q425620,Phenylacetonitrile; (Cyanomethyl)benzene; 2-Phenylacetonitrile; 2-Phenylethanenitrile; Benzeneethanenitrile; Benzyl Nitrile,140-29-4,Benzylkyanid,NSC 118418,NSC-3407,Toluene, .alpha.-cyano-,2-phenylethanenitrile,23G40PRP93,TRIAMTERENE IMPURITY D [EP IMPURITY],Acetic acid, phenyl-nitrile,UNII-23G40PRP93,Acetonitrile, phenyl-,benzylcyanide,Ethyl2-Fluoroacrylate,Benzyl cyanide, analytical standard,Benzyl cyanide, 98%,alpha -tolunitrile,phenylacteonitrile,Phenylacetonitrile, liquid [UN2470] [Poison],FT-0657342,NCGC00090854-01,laquo Omegaraquo -cyanotoluene,BENZYL CYANIDE [HSDB],Toluene, alpha-cyano-,HSDB 2103,2-Phenylacetonitrile,BENZYL CYANIDE [MI],EC 205-410-5,enzylcyanide,2-phenyl-acetonitrile,alpha -cyanotoluene,SCHEMBL37831,NSC3407,NSC118418,BENZYL CYANIDE,UN2470,phenylacetonitrile,DB-004016,Phenylacetonitrile,phenyl acetonitrile,Cyanophenylmethane,DSSTox_RID_76184,(Cyanomethyl)benzene,DEA Code 8735,.alpha.-Cyanotoluene,AKOS000118943,DSSTox_GSID_21492,Benzyl cyanide,DTXSID2021492,P0128,benzene-acetonitrile,NSC-118418,WLN: NC1R,NCGC00257771-01,Benzylkyanid [Czech],EINECS 205-410-5,Phenacetonitrile,Milnacipran EP Impurity E,USAF KF-21,Benzeneacetonitrile,ZINC1666748,Phenylacetonitrile (Benzyl Cyanide)

Estimated data

Solubility: -1.234 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 61.6% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.