ethyl (2R,4S)-4-methylpiperidine-2-carboxylate - ≥97% , CAS No.79199-61-4

CAS: 79199-61-4 Cat. No.: E634555 Summenformel: C₉H₁₇NO₂ Molekulargewicht: 171.24 PubChem CID: 15697774

GRADE & PURITY ≥97%

Synonyms

rel-Ethyl (2R,4S)-4-methyl-2-piperidinecarboxylate | starbld0017179 | PS-19578 | MFCD27977909 | 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R-cis)- | F78214 | ETHYL (2R,4S)-4-METHYLPIPERIDINE-2-CARBOXYLATE | (2R,4S)-Ethyl 4-methylpiperidine-2-c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

rel-Ethyl (2R,4S)-4-methyl-2-piperidinecarboxylate | starbld0017179 | PS-19578 | MFCD27977909 | 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R-cis)- | F78214 | ETHYL (2R,4S)-4-METHYLPIPERIDINE-2-CARBOXYLATE | (2R,4S)-Ethyl 4-methylpiperidine-2-c

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C1CC(CCN1)C
• IUPAC Name: ethyl (2R,4S)-4-methylpiperidine-2-carboxylate
• InChIKey: GHBNOCBWSUHAAA-JGVFFNPUSA-N
• INCHI: 1S/C9H17NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
• Isomere SMILES: CCOC(=O)[C@H]1C[C@H](CCN1)C
• Alternative CAS-Nummer: 42205-75-4
• PubChem CID: 15697774
• Molekulargewicht: 171.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Piperidinecarboxylic acids Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Piperidinecarboxylic acid - Piperidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 171.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.126 Da
• Monoisotopic Mass: 171.126 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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 79199-61-4, the molecular formula is C9H17NO2, and the molecular weight is 171.24 g/mol. InChIKey GHBNOCBWSUHAAA-JGVFFNPUSA-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.