Tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
Basic information
- CAS
870889-20-6- Standard SMILES
CC1(O)CC2CCC(C1)N2C(=O)OC(C)(C)C- InChIKey
SLERKVCWNKEZEG-UHFFFAOYSA-N- Molecular formula
- C13H23NO3
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.1677936
Names & identifiers
- Preferred name
- Tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
- IUPAC
- tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
- English name
- (1R,3R,5S)-tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
- Molecular formula
- C13H23NO3
- Molecular weight
- 241.33
Names & synonyms
870889-20-6TERT-BUTYL 3-HYDROXY-3-METHYL-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATEMFCD23701452SCHEMBL2708315DTXSID50694094SLERKVCWNKEZEG-UHFFFAOYSA-Ntert-Butyl3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylateDB-011673F89193EN300-56092888-Boc-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane(1R,3R,5S)-tert-butyl3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
Show more names
(1R,3R,5S)-tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-3-methyl-, 1,1-dimethylethyl ester
3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
Database identifiers
- CAS
870889-20-6- PubChem CID
- 53395263
- DTXSID
DTXSID50694094
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 331.2 · 331.2±35.0 °C(Predicted)
- Density
- 1.114 · 1.114
- pka
- 14.86 · 14.86±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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