Benzyl 2,6-dimethyl-4-oxopiperidine-1-carboxylate - ≥97% , CAS No.1233932-12-1

CAS: 1233932-12-1 Cat. No.: B190231 Peso molecular: 261.32

GRADE & PURITY ≥97%

Synonyms

DTXSID80739200 | DS-7094 | benzyl-2,6-dimethyl-4-oxopiperidine-1-carboxylate | Benzyl2,6-dimethyl-4-oxopiperidine-1-carboxylate | 1233932-12-1 | MFCD16250702 | AKOS016845051 | J-519826 | C71922 | EN300-7421428 | 1-Piperidinecarboxylic acid, 2,6-dimethyl-4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID80739200 | DS-7094 | benzyl-2, 6-dimethyl-4-oxopiperidine-1-carboxylate | Benzyl2, 6-dimethyl-4-oxopiperidine-1-carboxylate | 1233932-12-1 | MFCD16250702 | AKOS016845051 | J-519826 | C71922 | EN300-7421428 | 1-Piperidinecarboxylic acid, 2, 6-dimethyl-4

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1CC(=O)CC(N1C(=O)OCC2=CC=CC=C2)C
• IUPAC Name: benzyl 2,6-dimethyl-4-oxopiperidine-1-carboxylate
• InChIKey: VOMHDOIRSYDCPL-UHFFFAOYSA-N
• INCHI: 1S/C15H19NO3/c1-11-8-14(17)9-12(2)16(11)15(18)19-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
• Isómeros SMILES: CC1CC(=O)CC(N1C(=O)OCC2=CC=CC=C2)C
• Peso molecular: 261.32
• Reaxy-Rn: 43156886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43156886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Piperidinecarboxylic acids Piperidinones Carbamate esters Organic carbonic acids and derivatives Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidinone - Piperidine - Carbamic acid ester - Ketone - Carbonic acid derivative - Cyclic ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 261.320 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 261.136 Da
• Monoisotopic Mass: 261.136 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 322.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1