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

Amyl nitrite

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pubchem

Isoamyl nitrite

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wiki

Amyl nitrite

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Data

InChI: InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3

Synonyms: 3-methyl-1-nitrosooxy-butane,iso-amyl nitrite,Vaporole amyl nitrite,Amyl nitrit,FT-0627442,AKOS009157290,Isopentyl alcohol, nitrite,NCI-C50179,SR-01000944365-1,Isopentyl nitrite, >=97.0% (GC),LS-13086,UNII-5N0U5TUC9Z,Vaporole (TN),5N0U5TUC9Z,AI3-25183,I0089,Isoamyl nitrite 97%, stabilized,amyl nitrite(mixed isomers),STL264239,AMY3781,Isoamyl nitrite, stab. with 0.2% anhyd. sodium carbonate,isoamyInitrite,CAS-110-46-3,D00517,NSC7903,Vaporole,DTXSID9025455,WT82484,BRN 0969510,Tox21_200983,Nitrous acid, isopentyl ester,iso-amylnitrite,DSSTox_RID_77794,110-46-3,isopentylnitrit,AMYL NITRITE [HSDB],AMYL NITRITE [JAN],Amylnitrit,CHEMBL1535371,Amyl nitrite, mixed isomers,SR-01000944365,3-Methylbutanol nitrite,Nitrous acid 3-methylbutyl ester,Tox21_111074,EINECS 203-770-8,Isopentyl nitrite,HSDB 606,ACT05198,C07457,Aspiral (TN),Nitrous acid, 3-methylbutyl ester,CCRIS 1098,Amyl nitrite (JP17/USP),ISOAMYL NITRITE [MI],Aspiral,NCGC00258536-01,DSSTox_GSID_25455,EN300-35960,Q27888090,Amyl nitrite (JP15/USP),NSC-7903,Isopentyl nitrite, 96%,DSSTox_CID_2605,Nitrous acid isoamyl,Pentanoli nitris,SCHEMBL23785,isopentylnitrite,Isoamylnitrite,NCGC00091066-02,DB-002757,Amyl nitrite (VAN),MFCD00002057,ZINC3830220,F0001-0219,Nitramyl (VAN),Amyl nitrite,3-Methylbutylnitrite,ISOAMYL NITRITE,3-methyl-1-nitrosooxybutane,isopentyl ester Nitrous acid,CHEBI:2691,Nitrite Isopentyl alcohol,NCGC00091066-01,WLN: ONO2Y,Amyl nitrite [USAN],NSC 7903,Amyl nitrite I,3-Methylbutyl nitrite,Amilnitrite,J-802226

Estimated data

Solubility: -0.344 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 59.1% (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.