L-Prolinanilide - ≥98%(GC) , CAS No.64030-43-9

CAS: 64030-43-9 Cat. No.: S161344 Fórmula: C₁₁H₁₄N₂O Peso molecular: 190.25 Número CE: 834-846-4 PubChem CID: 6552381

GRADE & PURITY ≥98%(GC)

Synonyms

L-Prolinanilide | P2430 | F20858 | SCHEMBL2392383 | (S)-N-Phenylpyrrolidine-2-carboxamide | (2S)-N-phenylpyrrolidine-2-carboxamide | DTXSID90424913 | AKOS010392507 | MFCD08276245 | (S)-N-Phenyl-2-pyrrolidinecarboxamide | (s)-(+)-2-phenylaminocarbonylpyrro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

L-Prolinanilide | P2430 | F20858 | SCHEMBL2392383 | (S)-N-Phenylpyrrolidine-2-carboxamide | (2S)-N-phenylpyrrolidine-2-carboxamide | DTXSID90424913 | AKOS010392507 | MFCD08276245 | (S)-N-Phenyl-2-pyrrolidinecarboxamide | (s)-(+)-2-phenylaminocarbonylpyrro

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488195848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195848
• Sorrisos canónicos: C1CC(NC1)C(=O)NC2=CC=CC=C2
• IUPAC Name: (2S)-N-phenylpyrrolidine-2-carboxamide
• InChIKey: NRXYBKZDRCXDOD-JTQLQIEISA-N
• INCHI: 1S/C11H14N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)/t10-/m0/s1
• SMILES isoméricas: C1C[C@H](NC1)C(=O)NC2=CC=CC=C2
• PubChem CID: 6552381
• Peso molecular: 190.25

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 Proline and derivatives

• 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: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Anilides Pyrrolidinecarboxamides N-arylamides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Anilide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Propriedades químicas e físicas

• Rotação específica [α]: -67° (C=1,EtOH)
• Ponto de fusão (°C): 78 °C
• Peso molecular: 190.240 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.111 Da
• Monoisotopic Mass: 190.111 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 199.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 64030-43-9, the molecular formula is C11H14N2O, and the molecular weight is 190.25 g/mol. InChIKey NRXYBKZDRCXDOD-JTQLQIEISA-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.