benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
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![benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0af24b02a60349d99298e72d0fef0afe.png "benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium")
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
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CAS No:
47324-98-1
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Formula:
C21H29N2O+
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Chemical Name:
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
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Synonyms:
Bitrex;denatonium;denatonium benzoate;denatonium chloride;Denatonium;UNII-4IK22DF4OU;4IK22DF4OU;47324-98-1;SPBio_002882;Prestwick1_000961;Prestwick2_000961;Prestwick3_000961;BSPBio_000961;SCHEMBL155674;BPBio1_001059;CHEMBL1738972;DTXSID9043770;SCHEMBL22662475;CHEBI:95255;ZFQMTVNLDNXRNQ-UHFFFAOYSA-;benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;ZINC1601437;MCULE-9057328681;NCGC00017043-03;SBI-0206878.P001;AB00444483;AB00444483_07;SR-01000944429;SR-01000944429-1;BRD-K34122555-057-06-5;Q27167097;[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethyl-(phenylmethyl)azanium benzoat
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CAS No:
Description
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(phenylmethyl)ammonium is an amino acid amide.
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium Basic Attributes
325.5 g/mol
325.227988553 g/mol
4IK22DF4OU
DTXSID9043770
Drug Information
Chemicals added to pharmacologic preparations, poisonous household goods, and other chemicals to discourage their abuse or consumption. (See all compounds classified as Aversive Agents.)
Bitrex
Computed Properties
Molecular Weight:325.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:325.227988553
Monoisotopic Mass:325.227988553
Topological Polar Surface Area:29.1
Heavy Atom Count:24
Formal Charge:1
Complexity:375
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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