methyl cis-4-carbamoylcyclohexanecarboxylate - ≥97% , CAS No.1202-23-9

CAS: 1202-23-9 Cat. No.: M635488 Summenformel: C₉H₁₅NO₃ Molekulargewicht: 185.22 PubChem CID: 15105949

GRADE & PURITY ≥97%

Synonyms

BS-42818 | Colestolone (USAN/INN) | SY238151 | DTXSID801185358 | (1R,4r)-methyl 4-carbamoylcyclohexanecarboxylate | BS-43581 | A1-20638 | SR-01000946901 | methyl 4-carbamoylcyclohexanecarboxylate | PB39856 | KADKWAIHQUVCCO-UHFFFAOYSA-N | MFCD30174124 | AK

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BS-42818 | Colestolone (USAN/INN) | SY238151 | DTXSID801185358 | (1R,4r)-methyl 4-carbamoylcyclohexanecarboxylate | BS-43581 | A1-20638 | SR-01000946901 | methyl 4-carbamoylcyclohexanecarboxylate | PB39856 | KADKWAIHQUVCCO-UHFFFAOYSA-N | MFCD30174124 | AK

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: COC(=O)C1CCC(CC1)C(=O)N
• IUPAC Name: methyl 4-carbamoylcyclohexane-1-carboxylate
• InChIKey: KADKWAIHQUVCCO-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H2,10,11)
• Isomere SMILES: COC(=O)C1CCC(CC1)C(=O)N
• Alternative CAS-Nummer: 1202-23-9
• PubChem CID: 15105949
• Molekulargewicht: 185.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Primary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Methyl ester - Primary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 185.220 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.105 Da
• Monoisotopic Mass: 185.105 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 207.000
• 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

Häufig gestellte Fragen

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.

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 1202-23-9, the molecular formula is C9H15NO3, and the molecular weight is 185.22 g/mol. InChIKey KADKWAIHQUVCCO-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.