L-プロリンアミド - ≥98% , CAS No.7531-52-4

CAS: 7531-52-4 Cat. No.: P105976 分子式: C₅H₁₀N₂O 分子量: 114.15 Beilstein Registry Number: 80807 EC番号: 231-397-0

グレード＆純度 ≥98%

Synonyms

MFCD00005253｜（S）-プロリンアミド｜（2S）-ピロリジン-2-カルボキサミド｜L-プロリンアミド｜（S）-プロリンアミド｜L-プロリンアミド｜C5H10N2O｜h-pro-nh2｜（S）-ピロリジン-2-カルボキサミド｜l-プロリンアミド｜プロリンアミド｜プロリンアミド｜（S）-2-ピロリジンカルボキサミド

Storage

Room temperature

Shipped In

ノーマル

概要

用途

有機合成、医薬、農薬、染料に使用される重要な原料および中間体である。また、水でのアルドール反応のための効率的な有機触媒である。

仕様

同義語

MFCD00005253｜（S）-プロリンアミド｜（2S）-ピロリジン-2-カルボキサミド｜L-プロリンアミド｜（S）-プロリンアミド｜L-プロリンアミド｜C5H10N2O｜h-pro-nh2｜（S）-ピロリジン-2-カルボキサミド｜l-プロリンアミド｜プロリンアミド｜プロリンアミド｜（S）-2-ピロリジンカルボキサミド

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

488187467

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in benzene, ether, soluble in methanol, slightly soluble in ethanol.
• 比旋光度［α］: -106° (C=2,EtOH)
• 沸点（°C）: 307℃
• 融点（°C）: 123℃
• 分子量: 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

よくある質問

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.