1-Boc-4-cyano-4-hydroxypiperidine
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Basic information
- CAS
908140-15-8- Standard SMILES
CC(C)(C)OC(=O)N1CCC(O)(C#N)CC1- InChIKey
WWAGFFFOCPKWFA-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- 1-Boc-4-cyano-4-hydroxypiperidine
- IUPAC
- tert-butyl 4-cyano-4-hydroxypiperidine-1-carboxylate
- English name
- 1-BOC-4-HYDROXY-PIPERIDINE-4-CARBONITRILE
- Molecular formula
- C11H18N2O3
- Molecular weight
- 226.27
Names & synonyms
1-Boc-4-cyano-4-hydroxypiperidine908140-15-8tert-butyl 4-cyano-4-hydroxypiperidine-1-carboxylate1-BOC-4-hydroxy-piperidine-4-carbonitrileMFCD11845430tert-butyl 4-cyano-4-hydroxy-piperidine-1-carboxylateSCHEMBL1973674DTXSID00694600WWAGFFFOCPKWFA-UHFFFAOYSA-NAKOS014514232SB43217AS-61445
Show more names
N-Boc-4-cyano-4-hydroxypiperidine4-Cyano-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-cyano-4-hydroxy-, 1,1-dimethylethyl ester
SY123458DB-078814CS-0038910EN300-189846F092160
Database identifiers
- CAS
908140-15-8- PubChem CID
- 53399262
- DTXSID
DTXSID00694600
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 370.1 · 370.1±42.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.94 · 10.94±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- Precautionary statements
- P280-P305+P351+P338
Related reactions
5 records
Compound notes
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