Tert-butyl cis-3-hydroxy-2-methyl-piperidine-1-carboxylate
Basic information
- CAS
2091703-25-0- Standard SMILES
C[C@H]1[C@@H](O)CCCN1C(=O)OC(C)(C)C- InChIKey
ADVNLLSPFSWKPK-IUCAKERBSA-N- Molecular formula
- C11H21NO3
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.15214353
Names & identifiers
- Preferred name
- Tert-butyl cis-3-hydroxy-2-methyl-piperidine-1-carboxylate
- IUPAC
- tert-butyl (2S,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
- English name
- tert-butyl (2S,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
- Molecular formula
- C11H21NO3
- Molecular weight
- 215.29
Names & synonyms
tert-butyl cis-3-hydroxy-2-methyl-piperidine-1-carboxylate2091703-25-0MFCD30737567tert-butyl (2S,3S)-3-hydroxy-2-methylpiperidine-1-carboxylaterac-tert-butyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate, cistert-butyl (2S,3S)-3-hydroxy-2-methyl-piperidine-1-carboxylateSCHEMBL2913447YQF3973cis-1-Boc-2-methylpiperidin-3-olRID70325PS-19575SY344328
Show more names
rac-tert-Butyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylatetert-butyl cis-3-hydroxy-2-methyl-piperidine-1-carboxylate - [B84685]
D96987cis-tert-butyl 3-hydroxy-2-methyl-piperidine-1-carboxylaterel-tert-butyl (2S,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate3047197-90-7
Database identifiers
- CAS
2091703-25-0- PubChem CID
- 68438751
- EC Number
- 142-651-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 301.392 · 301.392±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.757 · 14.757±0.40(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.
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%)
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
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Compound notes
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