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

Isobutyl nitrite

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pubchem

Isobutyl nitrite

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wiki

Isobutyl nitrite

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Data

InChI: InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3

Synonyms: ACT08297,NCGC00259960-01,NCGC00091558-02,ISOBUTYL NITRITE [HSDB],CHEBI:46643,NCGC00091558-01,Nitrous acid isobutyl,DSSTox_GSID_20750,AKOS015915458,J-802227,IBN,isobutyl nitrile,MFCD00002056,NCGC00256551-01,DSSTox_CID_750,ISOBUTYL NITRITE [IARC],Q1151479,BRN 1699518,Blackjack,A830069,I0528,EN300-120670,Isobutylnitrit,HSDB 4368,nitrous acid 2-methylpropyl ester,CCRIS 1099,Isobutyl nitrite, 95%,ISOBUTYL NITRITE [MI],DSSTox_RID_75768,CHEMBL1526886,ISOBUTYL NITRITE [MART.],Isobutyl nitrite,EINECS 208-819-7,SCHEMBL190439,Nitrous acid, 2-methylpropyl ester,ISOBUTYL NITRITE,2-methylpropyl nitrite,4-01-00-01595 (Beilstein Handbook Reference),2-Methylpropylnitrite,iso-butyl nitrite,Poppers,542-56-3,CAS-542-56-3,Isobutylnitrite,UNII-GW9WAB6QOM,DTXSID3020750,Isobutyl nitrite stab. with potassium carbonate,i-butylnitrite,AMY4012,GW9WAB6QOM,Nitrous acid, isobutyl ester,Tox21_202411,ZINC4261994,isobutyl nitrite (|A-methylpropyl nitrite),2-methyl-1-nitrosooxy-propane,NCI-C61052,Tox21_302863,LS-13005,(CH3)2CHCH2ONO

Estimated data

Solubility: 0.217 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 60.7% (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.