4-(2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
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Basic information
- CAS
2096337-89-0- Standard SMILES
CC1(C)OB(c2cccc(Cl)c2CN2CCOCC2)OC1(C)C- InChIKey
PYDIRZUVMFNSLS-UHFFFAOYSA-N- Molecular formula
- C17H25BClNO3
- Average molar mass
- 337.6 g/mol
- Monoisotopic mass
- 337.1616015
Names & identifiers
- Preferred name
- 4-(2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
- IUPAC
- 4-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
- English name
- 4-{[2-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine
- Molecular formula
- C17H25BClNO3
- Molecular weight
- 337.65
Names & synonyms
2096337-89-03-Chloro-2-(morpholinomethyl)phenylboronic acid, pinacol ester4-(2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholineMFCD204419084-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholineBS-34236CS-0176661F71992F6967393-Chloro-2-(morpholinomethyl)phenylboronicacid,pinacolester3-Chloro-2-(morpholinomethyl)phenylboronic acid pinacol ester4-{[2-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine
Show more names
Morpholine, 4-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
Database identifiers
- CAS
2096337-89-0- PubChem CID
- 56776869
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 436.4 · 436.4±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 6.17 · 6.17±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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