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

Aniline

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pubchem

Aniline

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drugmap

Aniline

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Data

InChI: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

Synonyms: SR-01000944923,62-53-3,ZINC17886255, CI Oxidation Base 1,Kyanol,cyanole,C00292,C6H5NH2,Cyanol,Aniline, ASTM, ACS reagent, 99.5%, CCRIS 44, Aniline and homologues,A833829,Aniline (and salts), Aniline and homologs,SR-01000944923-1,BP-12047, Caswell No. 051C,Aniline, SAJ first grade, >=99.0%, RCRA waste no. U012, C.I. Oxidation Base 1, Rcra waste number U012, Arylamine,MESALAZINE IMPURITY K [EP IMPURITY],Phenylamine,Phenyleneamine, Benzene, amino,Q27121173,C.I. Oxidation Base 1,HSDB 43,Aniline oil,UN 1547,Aniline, p.a., ACS reagent, 99.0%, Anilin,UN1547,ANILINE [HSDB],ANILINE [IARC],Anyvim,Q186414, Krystallin,AI3-03053,Caswell No. 051C,ANILINE,Huile d'aniline [French],Anilina [Italian, Polish],CI Oxidation Base 1,ANILINE [USP-RS],AMY11081,NCGC00257899-01,Aniline, analytical standard,Aniline reagent,CCRIS 44,benzenaminium,DB06728,FENTANYL IMPURITY F [EP IMPURITY], Aminobenzene, HSDB 43,136260-71-4,DB-013441,F2190-0417,Anilina,Trimethoprim specified impurity K,NCGC00091297-02,EC 200-539-3,Aniline [UN1547] [Poison], Aniline (and salts),Blue Oil, Cyanol, Kyanol, Anilin [Czech], NCI-C03736,FT-0622394,Aniline, ReagentPlus(R), 99%, Anyvim,ANILINE [USP IMPURITY],Krystallin,Aniline and homologues,2-bromobenzylchloride,DSSTox_CID_90,ANILINE [INCI],BIDD:ER0581,Aniline, PESTANAL(R), analytical standard,A0463,Anilinum,Aniline 100 microg/mL in Cyclohexane, Phenylamine,DTXSID8020090, Blue Oil,Aniline-[13C], Aniline reagent,Aminophen,Anilin,Benzeneamine,Fentanyl impurity F, Aminophen,Anilin [Czech],Aniline, JIS special grade, >=99.0%,NCGC00091297-03,NCGC00091297-01,Aniline, LR, >=99%, Aniline oil,SIR7XX2F1K,CI 76000,phenyl-amine,ANILINE [MART.],CAS-62-53-3, 62-53-3,C.I. 76000, Benzidam,Discontinued, see H924510,Aminobenzene,EINECS 200-539-3,Aniline 10 microg/mL in Cyclohexane,UNII-SIR7XX2F1K,ANILINE [WHO-DD],Aniline, AR, >=99%,STR00216,phenyl amine,Benzenamine,Benzene, amino,DSSTox_GSID_20090,BENZENE,AMINO (ANILINE),FT-0662220,Benzene, amino-,CHEBI:17296,AMINOBENZOIC ACID IMPURITY C [EP IMPURITY], UN 1547, Anilina [Italian, Polish],Arylamine,NCI-C03736,8-aniline,TRIMETHOPRIM IMPURITY K [EP IMPURITY],Tox21_200345, Huile D'aniline,Aniline,Huile D'aniline, Anilina,Rcra waste number U012,RCRA waste no. U012,BDBM92572, UNII-SIR7XX2F1K,ANILINUM [HPUS],Aniline, United States Pharmacopeia (USP) Reference Standard,Benzidam,STK301792,CHEMBL538,J-519591, Benzenamine,EPA Pesticide Chemical Code 251400,PhNH2,AKOS000268796,DSSTox_RID_75359,Aniline, ACS reagent, >=99.5%,MFCD00007629,Aniline oil, phenylamine,Aniline and homologs, C.I. 76000,ANILINE [MI],FT-0696319,D'aniline,EN300-33390,Epitope ID:117704, Huile d'aniline [French], Benzeneamine


Estimated data

Solubility: -0.081 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 57.7% (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.