Benzyl piperidine-1-carboxylate
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Basic information
- CAS
3742-91-4- Standard SMILES
O=C(OCc1ccccc1)N1CCCCC1- InChIKey
TUWZZXGAUMSUOB-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- Benzyl piperidine-1-carboxylate
- IUPAC
- benzyl piperidine-1-carboxylate
- English name
- benzyl piperidine-1-carboxylate
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
benzyl piperidine-1-carboxylate3742-91-4DTXSID00281514RefChem:328699DTXCID60232668MFCD111109471-Z-Piperidine1-Cbz-piperidine1-Piperidinecarboxylic acid, phenylmethyl esterbenzyl 1-piperidinecarboxylateCbz-piperidineN-Cbz-piperidine
Show more names
NSC21864piperidine-1-carboxylic acid benzyl esterbenzyloxycarbonylpiperidinN-carbobenzyloxy piperidineN-benzyloxycarbonyl piperidinebenzylpiperidine-1-carboxylateSCHEMBL771824SCHEMBL794423
Database identifiers
- CAS
3742-91-4- PubChem CID
- 228749
- DTXSID
DTXSID00281514- Nikkaji
- J896.810A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 129 · 129-131 °C(Press: 0.5 Torr)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- -1.33 · -1.33±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
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
9 records
Compound notes
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