O-benzotriazol-1-yl-tetramethyluronium

HCID 130500CAS 221036-98-2
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Basic information

Standard SMILES
CN(C)C(On1nnc2ccccc21)=[N+](C)C
InChIKey
CLZISMQKJZCZDN-UHFFFAOYSA-N
Molecular formula
C11H16N5O+
Average molar mass
234.28 g/mol
Monoisotopic mass
234.13548515

Names & identifiers

Preferred name
O-benzotriazol-1-yl-tetramethyluronium
IUPAC
[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium

Names & synonyms

O-benzotriazol-1-yl-tetramethyluroniumBC3YQ8JNG8SCHEMBL78773SCHEMBL118552SCHEMBL29544944SCHEMBL30378712CLZISMQKJZCZDN-UHFFFAOYSA-N[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazaniumNCGC00184705-01NS00002466O-benzotriazol-1-yl-N,N,N',N'-tetramethyluroniumO-(benzotriazol-1-yl)-1,1,3,3-tetramethyluronium
Show more names
O-benzotriazol-1-yl-N,N, N',N'-tetramethyluronium2-(1h-benzotriazole-1-yl)1,1,3,3-tetramethyluroniumO-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium2-(1H-benzotriazol-1-yl)-1,1,3,3-tetramethyluroniumO-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium[(benzotriazol-1-yloxy)-dimethylamino methylene]-dimethyl-ammonium[(Benzotriazol-1-yloxy)-dimethylamino-methylene]-dimethyl-ammoniumMethanaminium, N-[(1H-benzotriazol-1-yloxy)(dimethylamino)methylene]-N-methyl-

Database identifiers

CAS
221036-98-2
PubChem CID
130500
UNII
BC3YQ8JNG8
Nikkaji
J489.755B、J845.158C

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
46.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

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Linked notes

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