9-Bromo-2-phenyl-1'-propyl-1,10B-dihydrospiro(benzo(E)pyrazolo(1,5-C)(1,3)oxazine-5,4'-piperidine)
Basic information
- CAS
303104-51-0- Standard SMILES
CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(c3ccccc3)=NN12- InChIKey
DTKZRIKYXAEIIK-UHFFFAOYSA-N- Molecular formula
- C23H26BrN3O
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 439.12593
Names & identifiers
- Preferred name
- 9-Bromo-2-phenyl-1'-propyl-1,10B-dihydrospiro(benzo(E)pyrazolo(1,5-C)(1,3)oxazine-5,4'-piperidine)
- IUPAC
- 9-bromo-2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
- English name
- 9-bromo-2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
- Molecular formula
- C23H26BrN3O
- Molecular weight
- 440.38
Names & synonyms
9-Bromo-2-phenyl-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]303104-51-09-Bromo-2-phenyl-1'-propyl-1,10B-dihydrospiro(benzo(E)pyrazolo(1,5-C)(1,3)oxazine-5,4'-piperidine)RefChem:549265652-387-6Oprea1_383462STK544904AKOS0054739069'-bromo-2'-phenyl-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]9-bromo-2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]Spiro[piperidine-4,5'-[5H]pyrazolo[1,5-c][1,3]benzoxazine], 9'-bromo-1',10'b-dihydro-2'-phenyl-1-propyl-
Database identifiers
- CAS
303104-51-0- PubChem CID
- 3719166
- EC Number
- 652-387-6
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 28.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Boiling point
- 531 · 531.0±60.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 9.43 · 9.43±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H335-H319-H315
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H410-H335-H319-H315
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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