Synonyms
Status
Molecule Category Free-form
UNII RZR75EQ2KJ
EPA CompTox DTXSID3046958

Structure

InChI Key AAQOQKQBGPPFNS-UHFFFAOYSA-N
Smiles CC[N+](C)(C)Cc1ccccc1Br
InChI
InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17BrN+
Molecular Weight 243.17
AlogP 3.05
Number of Rotational Bond 3.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 59-41-6
ChEBI 3172
ChEMBL CHEMBL1199080
DrugBank DB01158
DrugCentral 394
FDA SRS RZR75EQ2KJ
Human Metabolome Database HMDB0015289
Guide to Pharmacology 7130
KEGG C06855
PharmGKB PA448662
PubChem 2431
SureChEMBL SCHEMBL15438
ZINC ZINC000000001041