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Product No: BQ1628

Benzyl 4-Oxo-1-piperidinecarboxylate, >98.0%

Name: Benzyl 4-Oxo-1-piperidinecarboxylate
Brand: Chempure

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CAS Number

19099-93-5

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About this item

IUPAC name	benzyl 4-oxopiperidine-1-carboxylate
canonical smiles	C1CN(CCC1=O)C(=O)OCC2=CC=CC=C2
inchi	InChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
inchi key	VZOVOHRDLOYBJX-UHFFFAOYSA-N
molecular formula	C13H15NO3
synonyms	19099-93-5 1-Cbz-4-Piperidone benzyl 4-oxopiperidine-1-carboxylate N-Benzyloxycarbonyl-4-piperidone 1-Cbz-piperidin-4-one

Computed Properties

Molecular Weight:	233.26 g/mol
XLogP3:	1.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	233.10519334 g/mol
Monoisotopic Mass:	233.10519334 g/mol
Topological Polar Surface Area:	46.6 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	274
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzyl Benzoate

Benzyl salicylate

Chalcone

4-Chlorophenyl phenyl sulfone

Benzyl 4-hydroxybenzoate

4'-Methoxychalcone

Phenyl benzoate

4'-Hydroxychalcone

Benzyl nicotinate

Benzyl phenylacetate

p-Tolyl phenylacetate

1,3-Diphenylacetone

4-Methoxybenzil

Dibenzyl sulfoxide

Diphenyl phosphite

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (80.85%) Skin Irrit. 2 (19.15%) Eye Irrit. 2A (19.15%) STOT SE 3 (19.15%) Aquatic Chronic 3 (80.85%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (80.85%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (19.15%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (19.15%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (19.15%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (80.85%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	benzyl 4-oxopiperidine-1-carboxylate
canonical smiles	C1CN(CCC1=O)C(=O)OCC2=CC=CC=C2
inchi	InChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
inchi key	VZOVOHRDLOYBJX-UHFFFAOYSA-N
molecular formula	C13H15NO3
synonyms	19099-93-5 1-Cbz-4-Piperidone benzyl 4-oxopiperidine-1-carboxylate N-Benzyloxycarbonyl-4-piperidone 1-Cbz-piperidin-4-one

Computed Properties

Molecular Weight:	233.26 g/mol
XLogP3:	1.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	233.10519334 g/mol
Monoisotopic Mass:	233.10519334 g/mol
Topological Polar Surface Area:	46.6 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	274
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzyl Benzoate

Benzyl salicylate

Chalcone

4-Chlorophenyl phenyl sulfone

Benzyl 4-hydroxybenzoate

4'-Methoxychalcone

Phenyl benzoate

4'-Hydroxychalcone

Benzyl nicotinate

Benzyl phenylacetate

p-Tolyl phenylacetate

1,3-Diphenylacetone

4-Methoxybenzil

Dibenzyl sulfoxide

Diphenyl phosphite

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (80.85%) Skin Irrit. 2 (19.15%) Eye Irrit. 2A (19.15%) STOT SE 3 (19.15%) Aquatic Chronic 3 (80.85%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (80.85%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (19.15%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (19.15%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (19.15%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (80.85%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Product No: BQ1628

Benzyl 4-Oxo-1-piperidinecarboxylate, >98.0%

Product No: BQ1628

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BQ1628

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?