Allyl Anthraniliate - ≥95% , CAS No.7493-63-2

CAS: 7493-63-2 Cat. No.: A353796 Summenformel: C₁₀H₁₁NO₂ Molekulargewicht: 177.20 EG-Nummer: 231-331-0

QUALITÄT & REINHEIT ≥95%

Synonyms

2-Propen-1-yl 2-aminobenzoate|2-Propenyl 2-aminobenzoate|Benzoic acid,2-amino-,2-propen-1-yl ester|prop-2-en-1-yl 2-aminobenzoate|2-amino-benzoic acid allyl ester|ALLYLANTHRANILATE|ALLYL ANTHRANILATE|BENZOIC ACID, 2-AMINO-, 2-PROPEN-1-YL ESTER|ALLYL ANTHRANILATE [USP-RS]|prop-2-enyl 2-aminobenzoate|ALLYL ANTHRANILATE [FHFI]|Allyl 2-aminobenzoate #|Allyl O-aminobenzoate|Allyl Anthraniliate|Anthranilic acid, allyl ester|Allyl 2-aminobenzoate|Anthranilic acid, allyl ester (8CI)|Vinyl carbinyl anthranilate|Benzoic acid, 2-amino-, 2-propenyl ester

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

2-Propen-1-yl 2-aminobenzoate | 2-Propenyl 2-aminobenzoate | Benzoic acid,2-amino-,2-propen-1-yl ester | prop-2-en-1-yl 2-aminobenzoate | 2-amino-benzoic acid allyl ester | ALLYLANTHRANILATE | ALLYL ANTHRANILATE | BENZOIC ACID, 2-AMINO-, 2-PROPEN-1-YL ESTER | ALLYL ANTHRANILATE [USP-RS] | prop-2-enyl 2-aminobenzoate | ALLYL ANTHRANILATE [ Show more

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508816660

Kanonisches Lächeln

C=CCOC(=O)C1=CC=CC=C1N

IUPAC Name

prop-2-enyl 2-aminobenzoate

InChIKey

UCANFCXAKYMFGA-UHFFFAOYSA-N

INCHI

1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2

Isomere SMILES

C=CCOC(=O)C1=CC=CC=C1N

Molekulargewicht

177.20

Reaxy-Rn

3247181

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3247181&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.574 (lit.)
• Siedepunkt (°C): 105 °C/2 mmHg (lit.)
• Molekulargewicht: 177.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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