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

CAS: 7531-52-4 Cat. No.: P105976 Summenformel: C₅H₁₀N₂O Molekulargewicht: 114.15 Beilstein Registry Number: 80807 EG-Nummer: 231-397-0

QUALITÄT & REINHEIT ≥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

Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488187467

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Pseudomonas aeruginosa (123386 Activities)

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

Acinetobacter baumannii (41033 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, soluble in benzene, ether, soluble in methanol, slightly soluble in ethanol.
• Spezifische Drehung [α]: -106° (C=2,EtOH)
• Siedepunkt (°C): 307℃
• Schmelzpunkt (°C): 123℃
• Molekulargewicht: 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

Häufig gestellte Fragen

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.