3-Ethyl-3,4,6,7,12,12B-hexahydro-1H-indolo(2,3-A)quinolizin-2-one
Basic information
- CAS
4925-51-3- Standard SMILES
CCC1CN2CCc3c([nH]c4ccccc34)C2CC1=O- InChIKey
HIBBYIKNXPWWOI-UHFFFAOYSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756327
Names & identifiers
- Preferred name
- 3-Ethyl-3,4,6,7,12,12B-hexahydro-1H-indolo(2,3-A)quinolizin-2-one
- IUPAC
- 3-ethyl-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one
- English name
- 3-ethyl-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-one
- Molecular formula
- C17H20N2O
- Molecular weight
- 268.3535
Names & synonyms
3-ETHYL-3,4,6,7,12,12B-HEXAHYDRO-1H-INDOLO(2,3-A)QUINOLIZIN-2-ONE3-ethyl-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-oneRefChem:5013474925-51-3684-284-7AKOS024322615ST504424873-ethyl-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-one
Database identifiers
- CAS
4925-51-3- PubChem CID
- 4170296
- EC Number
- 684-284-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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