tert-Butyl 6-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
Basic information
- CAS
1160247-39-1- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CCc3ccc(Br)cc32)CC1- InChIKey
CDHOLYWZXHSSIC-UHFFFAOYSA-N- Molecular formula
- C18H24BrNO2
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.09904
Names & identifiers
- Preferred name
- tert-Butyl 6-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
- IUPAC
- tert-butyl 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
- English name
- Tert-Butyl 6-Bromo-2,3-Dihydrospiro[Indene-1,4'-Piperidine]-1'-Carboxylate
- Molecular formula
- C18H24BrNO2
- Molecular weight
- 366.29
Names & synonyms
1160247-39-1tert-Butyl 6-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylatetert-butyl 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylateMFCD12198595SCHEMBL17586453KWB24739tert-Butyl6-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylateCS-0036503EN300-268989W14153tert-butyl 6-bromospiro[indane-1,4'-piperidine]-1'-carboxylatet-Butyl 6-bromo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
Show more names
Tert-Butyl 6-Bromo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate(WX105043)Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 6-bromo-2,3-dihydro-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1160247-39-1- PubChem CID
- 49760968
- EC Number
- 160-912-0
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 432.4 · 432.4±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -0.77 · -0.77±0.20(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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