4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Basic information
- CAS
1005086-82-7- Standard SMILES
Brc1cc2c(cc1C1Nc3ccccc3C3C=CCC31)OCO2- InChIKey
YOLTZIVRJAPVPH-UHFFFAOYSA-N- Molecular formula
- C19H16BrNO2
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 369.03644
Overview
4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is a member of quinolines.
Names & identifiers
- Preferred name
- 4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
- IUPAC
- 4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Names & synonyms
4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolineML0501005086-82-71161002-05-6BAS 02002358SMR000177274Oprea1_405132Oprea1_559349MLS000555771SCHEMBL916391CHEMBL1540742CHEBI:91907
Show more names
HMS2557E18s6651AKOS0006112834-(6-Bromobenzo[d][1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolineUNM000011070401Q27163706Benzopyrene Related Compound 6 ((3aS,4R,9bR)-4-(6-Bromo-1,3-Benzodioxol-5-yl)-3a,4,5,9b-Tetrahydro-3H-Cyclopenta-[c]-Qui
Database identifiers
- CAS
1005086-82-7- PubChem CID
- 3136844
- ChEMBL
CHEMBL1540742- ChEBI
CHEBI:91907- EC Number
- 663-882-1
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 484
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…