N-Boc-ε-caprolactam - ≥97% , CAS No.106412-36-6

CAS: 106412-36-6 Cat. No.: N468560 Fórmula: C₁₁H₁₉NO₃ Peso molecular: 213.27 Número EC: 686-986-9

GRADE & PURITY ≥97%

Synonyms

Tert-butyl 2-oxoazepane-1-carboxylate | t-Butyl 2-oxoazepane-1-carboxylate | AKOS015960214 | MFCD03265235 | 1-Boc-2-oxoazepane | AS-54561 | N-Boc-epsilon-caprolactam, 97% | DTXSID20465430 | s12102 | N-Boc-epsilon-caprolactam | SCHEMBL5421438 | EN300-13571

Storage

Room temperature

Specifications

Sinónimos

Tert-butyl 2-oxoazepane-1-carboxylate | t-Butyl 2-oxoazepane-1-carboxylate | AKOS015960214 | MFCD03265235 | 1-Boc-2-oxoazepane | AS-54561 | N-Boc-epsilon-caprolactam, 97% | DTXSID20465430 | s12102 | N-Boc-epsilon-caprolactam | SCHEMBL5421438 | EN300-13571

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504766406

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766406

Sonrisas canónicas

CC(C)(C)OC(=O)N1CCCCCC1=O

IUPAC Name

tert-butyl 2-oxoazepane-1-carboxylate

InChIKey

GJZYNYJIBDCRFC-UHFFFAOYSA-N

INCHI

1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3

Isómeros SMILES

CC(C)(C)OC(=O)N1CCCCCC1=O

WGK Alemania

3

Peso molecular

213.27

Reaxy-Rn

4678148

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4678148&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactams
      • Subclass Caprolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactams
• Subclass: Caprolactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Caprolactams
• Alternative Parents: Azepanes Dicarboximides Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Caprolactam - Azepane - Carbamic acid ester - Dicarboximide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
• 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

• Índice de refracción: 1.468
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 213.270 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.136 Da
• Monoisotopic Mass: 213.136 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 255.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 106412-36-6, the molecular formula is C11H19NO3, and the molecular weight is 213.27 g/mol. InChIKey GJZYNYJIBDCRFC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.