Ethyl N-cbz-4-piperidineacetate - ≥95% , CAS No.80221-26-7

CAS: 80221-26-7 Cat. No.: E186689 Formule: C₁₇H₂₃NO₄ Poids moléculaire: 305.4

GRADE & PURITY ≥95%

Synonyms

SCHEMBL2356129 | DTXSID10512588 | 4-Piperidineacetic acid, 1-[(phenylmethoxy)carbonyl]-, ethyl ester | benzyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate | 1-Cbz-4-piperidineacetic acid ethyl ester | AB91772 | EthylN-Cbz-4-piperidineacetate | AMY20512

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

SCHEMBL2356129 | DTXSID10512588 | 4-Piperidineacetic acid, 1-[(phenylmethoxy)carbonyl]-, ethyl ester | benzyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate | 1-Cbz-4-piperidineacetic acid ethyl ester | AB91772 | EthylN-Cbz-4-piperidineacetate | AMY20512

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528765954

Sourires canoniques

CCOC(=O)CC1CCN(CC1)C(=O)OCC2=CC=CC=C2

IUPAC Name

benzyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

InChIKey

SULSTAOSZUXHPL-UHFFFAOYSA-N

INCHI

1S/C17H23NO4/c1-2-21-16(19)12-14-8-10-18(11-9-14)17(20)22-13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3

Isomères SMILES

CCOC(=O)CC1CCN(CC1)C(=O)OCC2=CC=CC=C2

Poids moléculaire

305.4

Reaxy-Rn

8703092

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8703092&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Piperidinecarboxylic acids Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 305.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 305.163 Da
• Monoisotopic Mass: 305.163 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 358.000
• 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