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Chem Benzyltriethylammonium Bromide | Cheminformatics

Benzyltriethylammonium bromide


  • SKU Code: CH137087
Chemical Name - Benzyltriethylammonium bromide
Mol Weight - 192.325
Smiles - CC[N+](CC)(CC)Cc1ccccc1.[Br-]
Property Name Property Value
Mol NameBenzyltriethylammonium bromide
Molweight192.325
Monoisotopic Mass192.175224
Clogp-0.4364
Clogs-1.765
H Acceptors1
Total Surface Area170.96
Relative Psa-0.044572
Druglikeness-9.1571
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.57143
Molecular Flexibility0.64538
Molecular Complexity0.41291
Fragments2
Non H Atoms14
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds5
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms8
Symmetric Atoms6
Amines1
Alkyl Amines1
SmilesCC[N+](CC)(CC)Cc1ccccc1.[Br-]
InChIKeyInChI=1S/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChICHQVQXZFZHACQQ-UHFFFAOYSA-M

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