N-Cbz-4-aminocyclohexanone - ≥97% , CAS No.16801-63-1

CAS: 16801-63-1 Cat. No.: C103061 分子式: C₁₄H₁₇NO₃ 分子量: 247.29 EC番号: 626-348-9

グレード＆純度 ≥97%

Synonyms

AKOS005254443 | AC-5743 | O-3-Amino-3-deoxy-alpha-D-glucopyranosyl(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl(1->6))-2-deoxy-N(sup 3)-(2-hydroxy-1-(hydroxymethyl)ethyl)-L-streptamine | 4-Carbobenzoxy-amino-cyclohexanone | J-010423 | SY023322

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

AKOS005254443 | AC-5743 | O-3-Amino-3-deoxy-alpha-D-glucopyranosyl(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl(1->6))-2-deoxy-N(sup 3)-(2-hydroxy-1-(hydroxymethyl)ethyl)-L-streptamine | 4-Carbobenzoxy-amino-cyclohexanone | J-010423 | SY023322

仕様と純度

≥97%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488198698

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488198698

カノニカル・スマイル

C1CC(=O)CCC1NC(=O)OCC2=CC=CC=C2

IUPAC Name

benzyl N-(4-oxocyclohexyl)carbamate

InChIKey

VHXBIBFCJISKFA-UHFFFAOYSA-N

INCHI

1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)

異性体SMILES

C1CC(=O)CCC1NC(=O)OCC2=CC=CC=C2

WGKドイツ

3

分子量

247.29

Reaxy-Rn

2978655

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2978655&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Cyclic ketones Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Cyclic ketone - Ketone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: moisture sensitive
• 融点（°C）: 80-84°C
• 分子量: 247.290 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 247.121 Da
• Monoisotopic Mass: 247.121 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 287.000
• 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

よくある質問

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 16801-63-1, the molecular formula is C14H17NO3, and the molecular weight is 247.29 g/mol. InChIKey VHXBIBFCJISKFA-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.