Pyrrole-1-propionic Acid - ≥97% , CAS No.89059-06-3

CAS: 89059-06-3 Cat. No.: D304839 Formula: C₇H₉NO₂ Peso molecolare: 139.16 Numero EC: 624-832-4

GRADE & PURITY ≥97%

Synonyms

1H-Pyrrole-1-propionic Acid | N-(2-Carboxyethyl)pyrrole | N-Pyrrolylpropanoic acid | 3-Pyrrolyl-1-yl-propionic acid

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinonimi

1H-Pyrrole-1-propionic Acid | N-(2-Carboxyethyl)pyrrole | N-Pyrrolylpropanoic acid | 3-Pyrrolyl-1-yl-propionic acid

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged,Desiccated

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504758373
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758373
• Sorrisi canonici: C1=CN(C=C1)CCC(=O)O
• IUPAC Name: 3-pyrrol-1-ylpropanoic acid
• InChIKey: RZJWSGHNRLPGHP-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2,(H,9,10)
• Isomeri SMILES: C1=CN(C=C1)CCC(=O)O
• Peso molecolare: 139.16
• Reaxy-Rn: 114184
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114184&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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

• Punto di fusione (°C): 59-64°C
• Peso molecolare: 139.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 139.063 Da
• Monoisotopic Mass: 139.063 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Riferimenti

1. Sizhen Wang, Zhiqiang Ma, Zhang Shi, Ying Huang, Tianheng Chen, Lei Hou, Tao Jiang, Feng Yang.  (2022)  Chidamide stacked in magnetic polypyrrole nano-composites counter thermotolerance and metastasis for visualized cancer photothermal therapy.  DRUG DELIVERY,      [PMID:35475384] [10.1080/10717544.2022.2068697]

2. Shengqu Liu, Yuehui Zhong, Xiaoling Zhang, Menghan Pi, Xiaoyu Wang, Ruijie Zhu, Wei Cui, Rong Ran.  (2022)  Highly Deformable, Conductive Double-Network Hydrogel Electrolytes for Durable and Flexible Supercapacitors.  ACS Applied Materials & Interfaces,      [PMID:35317550] [10.1021/acsami.2c00962]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 89059-06-3, the molecular formula is C7H9NO2, and the molecular weight is 139.16 g/mol. InChIKey RZJWSGHNRLPGHP-UHFFFAOYSA-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.