9-Bromo-2-(4-fluorophenyl)-1'-propyl-1,10B-dihydrospiro(benzo(E)pyrazolo(1,5-C)(1,3)oxazine-5,4'-piperidine)
Basic information
- CAS
303107-11-1- Standard SMILES
CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccc(F)cc3)=NN12- InChIKey
HCPSFARKPCRFOB-UHFFFAOYSA-N- Molecular formula
- C23H25BrFN3O
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 457.1165
Names & identifiers
- Preferred name
- 9-Bromo-2-(4-fluorophenyl)-1'-propyl-1,10B-dihydrospiro(benzo(E)pyrazolo(1,5-C)(1,3)oxazine-5,4'-piperidine)
- IUPAC
- 9-bromo-2-(4-fluorophenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
- English name
- 12'-bromo-4'-(4-fluorophenyl)-1-propyl-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraene
- Molecular formula
- C23H25BrFN3O
- Molecular weight
- 458.37
Names & synonyms
9-Bromo-2-(4-fluorophenyl)-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]303107-11-19-Bromo-2-(4-fluorophenyl)-1'-propyl-1,10B-dihydrospiro(benzo(E)pyrazolo(1,5-C)(1,3)oxazine-5,4'-piperidine)RefChem:549256652-715-8CHEMBL213005BDBM50191208AKOS02442422312''-bromo-4''-(4-fluorophenyl)-1-propyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraeneSpiro[piperidine-4,5'-[5H]pyrazolo[1,5-c][1,3]benzoxazine], 9'-bromo-2'-(4-fluorophenyl)-1',10'b-dihydro-1-propyl-12'-bromo-4'-(4-fluorophenyl)-1-propyl-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraene
Database identifiers
- CAS
303107-11-1- PubChem CID
- 5113614
- ChEMBL
CHEMBL213005- EC Number
- 652-715-8
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 28.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- Boiling point
- 527.8 · 527.8±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H410
- Precautionary statements
- 273 · P273-P391-P501-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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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,GHS09
- Hazard statements
- H315-H319-H335-H410
- Precautionary statements
- P273-P391-P501-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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