WHC is still in active development. Read this to understand our approach.
depiction of WERYXYBDKMZEQL-UHFFFAOYSA-N.svg
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1,4-butanediol

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1,4-Butanediol

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1,4-Butanediol

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pubchem

1,4-Butanediol

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druglab

1,4-butanediol

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drugmap

1,4-Butanediol

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1,4-Butanediol

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Data

InChI: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

Synonyms: Butan-1.4-diol,1.4-butanediol,Agrisynth B1D, Butane-1,4-diol, DSSTox_CID_4666,B0680,AKOS000118735,BDO,1,4-Butanediol, ReagentPlus(R), >=99%, Tetramethylene glycol, AI3-07553,BD,HOCH2CH2CH2CH2OH,WLN: Q4Q,HMS3039N12, 1,4-Butylene glycol,1,4-butandiol,1,4-BUTANEDIOL [MI], BU1,J-512798,DIOL 14B,DSSTox_RID_77492, 1,4-Butanediol, homopolymer, WERYXYBDKMZEQL-UHFFFAOYSA-N, DSSTox_RID_77492, 7XOO2LE6G3,1,4-bd, 1,4-BD,DSSTox_CID_4666, HOCH2CH2CH2CH2OH,HO(CH2)4OH,Tox21_303040,4-hydroxybutanol,J-503971,CHEMBL171623,Q161521,DTXCID804666,1,4-BUTANEDIOL [INCI],1,4-Butanediol, 99%,1,4-Butanediol, Vetec(TM) reagent grade, 98%,butane 1,4-diol, BDO,NCGC00259794-01,butane-1-4-diol,DTXSID2042307,STL283940,FT-0606811, EINECS 203-786-5,Tox21_202245,BRN 1633445,HSDB 1112,14bd,CCRIS 5984,MLS001061198,1,4-Butylene glycol,4-01-00-02515 (Beilstein Handbook Reference),1,4-BUTANEDIOL [HSDB],1,4-butane diol,EC 203-786-5, CHEBI:41189,1.4 - butanediol,NSC406696,UNII-7XOO2LE6G3,SMR000677930,1,4-Butanediol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material,Dabco BDO,NSC 406696,1,4-BUTANEDIOL, MFCD00002968, HO(CH2)4OH, UNII-7XOO2LE6G3,1,4-BD,butane diol-1,4,CHEBI:41189,NCGC00257119-01, CCRIS 5984,1,4-Butanediol, for synthesis, 98%,CS-W016669,110-63-4, NSC 406696, DIOL 14B,1,4-Butanediol 100 microg/mL in Methanol,Tetramethylene 1,4-diol,Poly(1,4-butanediol),1,4-Tetramethylene glycol,1,4 butylene glycol, CAS-110-63-4,F0001-0222,EINECS 203-786-5,BU1,bd, 1,4-Dihdyroxybutane, BRN 1633445,1,4-Butanediol 4 M solution, 1,4-Tetramethylene glycol,Z1259087047,7XOO2LE6G3, DSSTox_GSID_24666,butane-1,4-diol,BP-21418,1,4-butane-diol,CAS-110-63-4, Agrisynth B1D,1,4-Butanediol,1,4-Butanediol, ReagentPlus(R), 99%, 1,4-Dihydroxybutane,NCGC00090733-02,1,4- butandiol,DB01955,F71206,DTXSID2024666, HSDB 1112,MFCD00002968,DSSTox_GSID_24666,Tetramethylene glycol, Sucol B,AI3-07553,ZINC1599375,1,4-Dihydroxybutane,NSC-406696,NCGC00090733-01,Butane-1,4-diol, 110-63-4,1,4butanediol, Tetramethylene 1,4-diol, 4-hydroxybutanol,Sucol B

Estimated data

Solubility: 1.31 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 62.6% (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.