L-Prolinamide - ≥98% , CAS No.7531-52-4

CAS: 7531-52-4 Cat. No.: P105976 Fórmula: C₅H₁₀N₂O Peso molecular: 114.15 Beilstein Registry Number: 80807 Número CE: 231-397-0

GRAU & PUREZA ≥98%

Synonyms

MFCD00005253 | (S)-proline amide | (2S)-pyrrolidine-2-carboxamide | L-proline amide | (S)-Prolinamide | L-prolinamide | C5H10N2O | h-pro-nh2 | (S)-Pyrrolidine-2-carboxamide | l-Prolineamide | Prolinamide | proline amide | (S)-2-Pyrrolidinecarboxamide

Storage

Room temperature

Shipped In

Normal

Visão geral

Application

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. Also it is a efficient organocatalysts for aldol reactions on water.

Especificações

Sinónimos

MFCD00005253 | (S)-proline amide | (2S)-pyrrolidine-2-carboxamide | L-proline amide | (S)-Prolinamide | L-prolinamide | C5H10N2O | h-pro-nh2 | (S)-Pyrrolidine-2-carboxamide | l-Prolineamide | Prolinamide | proline amide | (S)-2-Pyrrolidinecarboxamide

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488187467

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187467

Sorrisos canónicos

C1CC(NC1)C(=O)N

IUPAC Name

(2S)-pyrrolidine-2-carboxamide

InChIKey

VLJNHYLEOZPXFW-BYPYZUCNSA-N

INCHI

1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1

SMILES isoméricas

C1C[C@H](NC1)C(=O)N

WGK Alemanha

3

Peso molecular

114.15

Beilstein

80807

Reaxy-Rn

80806

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80806&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: amino acid amide - pyrrolidinecarboxamide - L-proline derivative

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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in benzene, ether, soluble in methanol, slightly soluble in ethanol.
• Rotação específica [α]: -106° (C=2,EtOH)
• Ponto de ebulição (°C): 307℃
• Ponto de fusão (°C): 123℃
• Peso molecular: 114.150 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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?

This product is supplied at ≥98% 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 7531-52-4, the molecular formula is C5H10N2O, and the molecular weight is 114.15 g/mol. InChIKey VLJNHYLEOZPXFW-BYPYZUCNSA-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.