ethyl (2R,4R)-4-methylpiperidine-2-carboxylate - ≥97% , CAS No.74892-82-3

CAS: 74892-82-3 Cat. No.: E634476 Formula: C₉H₁₇NO₂ Peso molecolare: 171.24 PubChem CID: 10313307

GRADE & PURITY ≥97%

Synonyms

J-520472 | DS-1647 | SCHEMBL1577091 | (2R,4R)-ethyl 4-methylpiperidine-2-carboxylate | GHBNOCBWSUHAAA-HTQZYQBOSA-N | 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R-trans)- | 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R,4R)- | A9574 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

J-520472 | DS-1647 | SCHEMBL1577091 | (2R,4R)-ethyl 4-methylpiperidine-2-carboxylate | GHBNOCBWSUHAAA-HTQZYQBOSA-N | 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R-trans)- | 2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2R,4R)- | A9574 |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528768674
• Sorrisi canonici: CCOC(=O)C1CC(CCN1)C
• IUPAC Name: ethyl (2R,4R)-4-methylpiperidine-2-carboxylate
• InChIKey: GHBNOCBWSUHAAA-HTQZYQBOSA-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-/m1/s1
• Isomeri SMILES: CCOC(=O)[C@H]1C[C@@H](CCN1)C
• CAS alternativo: 74892-82-3
• PubChem CID: 10313307
• Peso molecolare: 171.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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