3-Pyridinepropionic acid - ≥97% , CAS No.3724-19-4

CAS: 3724-19-4 Cat. No.: P136290 분자식: C₈H₉NO₂ 분자량: 151.16 EC 번호: 625-099-3 PubChem CID: 259624

등급 & 순도 ≥97%

Synonyms

DTXSID40293459 | SR-01000641396-1 | HMS1524M12 | 3-(3-Pyridinyl)propanoic acid | CCG-52144 | SB52859 | UNII-CPK99G68KH | (.ALPHA.S)-.ALPHA.-AMINO-6-HYDROXY-3,4-DIOXO-1,5-CYCLOHEXADIENE-1-PROPANOIC ACID | AKOS000206872 | HY-P1515 | SY017981 | 3-Pyridinepro

Storage

Room temperature

Shipped In

Normal

개요

3-Pyridinepropionic acid is commonly used as ligand to make coordination polymers. Crystal structure of 3-pyridinepropionic acid (3-(pyridin-3-yl) propionic acid ) has been investigated.
3-Pyridinepropionic acid (PPA) may be used: in the preparation of new coordination polymers of Ag, Cu and Zn, via reaction with AgNO3, Cu(NO3)2·6H2O and Zn(NO32·6H2O in MeOH in the hydrothermal synthesis of coordination polymers, [Zn(PPA)2(H2O)2]n and [Cd(PPA)2]n as bidentate chelating agent for the chelation of rare-earth ions, Eu3+ and Tb3+ for the fluorescence enhancement in sol-gels.

사양

동의어

DTXSID40293459 | SR-01000641396-1 | HMS1524M12 | 3-(3-Pyridinyl)propanoic acid | CCG-52144 | SB52859 | UNII-CPK99G68KH | (.ALPHA.S)-.ALPHA.-AMINO-6-HYDROXY-3,4-DIOXO-1,5-CYCLOHEXADIENE-1-PROPANOIC ACID | AKOS000206872 | HY-P1515 | SY017981 | 3-Pyridinepro

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488189107

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189107

정식 스마일

C1=CC(=CN=C1)CCC(=O)O

IUPAC Name

3-pyridin-3-ylpropanoic acid

InChIKey

WDGXIUUWINKTGP-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)

이성체 SMILES

C1=CC(=CN=C1)CCC(=O)O

WGK 독일

3

PubChem CID

259624

분자량

151.16

Reaxy-Rn

122232

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• 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: Pyridine - 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
• 설명: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

관련 대상(인간)

PTPRB Tchem Receptor-type tyrosine-protein phosphatase beta (330 Activities)

Discover Target: PTPRB

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HepG2 (196354 Activities)

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관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 158 °C
• 분자량: 151.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

자주 묻는 질문

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.

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 3724-19-4, the molecular formula is C8H9NO2, and the molecular weight is 151.16 g/mol. InChIKey WDGXIUUWINKTGP-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.