3-Indolessigsäure - analytischer Standard, ≥99% , CAS No.87-51-4

CAS: 87-51-4 Cat. No.: I101073 Summenformel: C₁₀H₉NO₂ Molekulargewicht: 175.18 Beilstein Registry Number: 143358 EG-Nummer: 201-748-2

QUALITÄT & REINHEIT Analytical standard, ≥99%

Synonyms

.beta.-Indoleacetic acid|1H-indol-3-ylacetic acid|.beta.-IAA|auxin|b-Indolylacetic acid|(1H-indol-3-yl)acetate|(1H-Indol-3-yl)-acetate|.alpha.-IAA|3-Indolylacetic acid|3-indolyl-acetic acid|indole-3-acetic aicd|Skatole carboxylate|3-indolyl acetic acid|IES|Indol-3-ylacetate|alpha-IAA|Heteroauxin|INDOLEACETIC ACID [MI]|2-(3-Indolyl)acetate|2-(1H-indol-3-yl)-acetic acid|beta-Indoleacetate|Indole--d5-3-acetic--d2 Acid|1H-Indole-3-acetic acid (9CI)|3-Iaa|3-indoleacetate|3-Indoleacetic acid|3-Indole-Acetic acid|indole-3-acetate|Indoleacetic acid (VAN)|Rhizopon A|beta-Indolylacetate|Indol-3-ylacetic acid|Indolylacetate|(indol-3-yl)acetate|b-Indolylacetate|(indol-3-yl)acetic acid|.omega.-Skatole carboxylic acid|3-Indolylessigsaeure|3-Indolylmethylcarboxylic acid|indole acetic acid|Indolyl-3-acetic acid|1H-Indole-3-acetate|beta-Indole-3-acetic acid|beta-Indoleacetic acid|1H-Indole 3-acetic acid|2-(3-Indolyl)acetic acid|Heteroauxinhexteroauxiniaa|IAA|Indolyl-3-acetate|Skatole carboxylic acid|Acid, 6|b-Indoleacetic acid|Hexteroauxin|Indole-3-acetic acid (8CI)|beta-IAA|Indolylacetic acid|.beta.-Indole-3-acetic acid|indole-3-acetic acid|Rhizopin|Indole-3-acetic-t acid|1H-Indole-3-acetic acid|IAC|indoleacetate|Kyselina 3-indolyloctova [Czech]|Indole 3-acetic acid|indoleacetic acid|1H-indol-3-acetic acid|omega-Skatole carboxylic acid|.beta.-Indolylacetic acid|(1H-Indol-3-yl)acetic acid|(1H-Indol-3-yl)-acetic acid|3-indole acetic acid|Acetic acid, indolyl-|[3H]-IAA|Kyselina 3-indolyloctova|3-(Carboxymethyl)indole|3-Indolylacetate|alpha-Indol-3-yl-acetic acid

Storage

Protected from light,Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

.beta.-Indoleacetic acid | 1H-indol-3-ylacetic acid | .beta.-IAA | auxin | b-Indolylacetic acid | (1H-indol-3-yl)acetate | (1H-Indol-3-yl)-acetate | .alpha.-IAA | 3-Indolylacetic acid | 3-indolyl-acetic acid | indole-3-acetic aicd | Skatole carboxylate | 3-indolyl acetic acid | IES | Indol-3-ylacetate | alpha-IAA | Heteroauxin | INDOLEACE Show more

Spezifikationen & Reinheit

analytischer Standard, ≥99%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508808825

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=CN2)CC(=O)O

IUPAC Name

2-(1H-indol-3-yl)acetic acid

InChIKey

SEOVTRFCIGRIMH-UHFFFAOYSA-N

INCHI

1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

Isomere SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)O

WGK Deutschland

3

RTECS

NL3150000

Molekulargewicht

175.18

Beilstein

143358

Reaxy-Rn

143358

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143358&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indole-3-acetic acid derivatives
• Alternative Parents: 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole-3-acetic acid derivative - 3-alkylindole - Indole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
• External Descriptors: Indole alkaloids - Auxins

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Flammpunkt (°F): 339.8℉
• Flammpunkt (°C): 171℃
• Schmelzpunkt (°C): 167°C
• Molekulargewicht: 175.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.063 Da
• Monoisotopic Mass: 175.063 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• 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