(-)-9-(1R,2R-Pseudoephedrinyl)-(10S)-(trimethylsilyl)-9-borabicyclo[3.3.2]decane
Basic information
- CAS
856676-11-4- Standard SMILES
CNC(C)C(OB1C2CCCC(CCC2)C1[Si](C)(C)C)c1ccccc1- InChIKey
ZOZYQBFBLCMBTA-UHFFFAOYSA-N- Molecular formula
- C22H38BNOSi
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.2815715
Names & identifiers
- Preferred name
- (-)-9-(1R,2R-Pseudoephedrinyl)-(10S)-(trimethylsilyl)-9-borabicyclo[3.3.2]decane
- IUPAC
- N-methyl-1-phenyl-1-[(10-trimethylsilyl-9-borabicyclo[3.3.2]decan-9-yl)oxy]propan-2-amine
Names & synonyms
(-)-9-(1R,2R-Pseudoephedrinyl)-(10S)-(trimethylsilyl)-9-borabicyclo[3.3.2]decane856676-11-4
Database identifiers
- CAS
856676-11-4- PubChem CID
- 92017147
- EC Number
- 693-879-0
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 424
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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