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benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate

benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate structure

CAS No:
86398-53-0
Formula:
C28H36N2O4
Chemical Name:
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate
Synonyms:
Denatonium benzoate hydrate;86398-53-0;UNII-4YK5Z54AT2;denatonium benzoate monohydrate;4YK5Z54AT2;benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate;Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, benzoate, monohydrate;NSC 157658;Bitrex (TN);Denatonium benzoate [USAN:INN:BAN:NF];Denatonium benzoate (NF);SCHEMBL49510;DTXSID50235522;D02294;Q27260676;Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate monohydrate

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benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate Basic Attributes

Molecular Weight：

464.6 g/mol

Exact Mass：

464.26750763 g/mol

UNII：

4YK5Z54AT2

DSSTox ID：

DTXSID50235522

Characteristics

PSA：

70.2 Å²

Computed Properties

Molecular Weight:464.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:464.26750763
Monoisotopic Mass:464.26750763
Topological Polar Surface Area:70.2
Heavy Atom Count:34
Complexity:473
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate

Basic Attributes
Characteristics
Computed Properties

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