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1-Z-2-Piperidone - 95%, high purity , CAS No.106412-35-5
Basic Description
Synonyms
FT-0766133 | DTXSID00455096 | N-Cbz-2-piperidinone | N-(benzyloxycarbonyl)piperidone | AMY20740 | A50795 | LKGMGCSFOUSKCR-UHFFFAOYSA-N | Benzyl 2-oxopiperidine-1-carboxylate | MFCD09908205 | AKOS015890735 | SCHEMBL520364 | 1-Z-2-Piperidone, 95%
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Piperidinecarboxylic acids Piperidinones Delta lactams Dicarboximides Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyloxycarbonyl - Piperidinecarboxylic acid - Delta-lactam - Piperidinone - Piperidine - Carbamic acid ester - Dicarboximide - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488197162
IUPAC Name
benzyl 2-oxopiperidine-1-carboxylate
INCHI
InChI=1S/C13H15NO3/c15-12-8-4-5-9-14(12)13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
LKGMGCSFOUSKCR-UHFFFAOYSA-N
Smiles
C1CCN(C(=O)C1)C(=O)OCC2=CC=CC=C2
Isomeric SMILES
C1CCN(C(=O)C1)C(=O)OCC2=CC=CC=C2
WGK Germany
3
PubChem CID
11096497
Molecular Weight
233.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.544
Flash Point(°F)
>230 °F
Flash Point(°C)
>110 °C
Molecular Weight
233.260 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
233.105 Da
Monoisotopic Mass
233.105 Da
Topological Polar Surface Area
46.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
284.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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J2219689