Benzyl Anthranilate - ≥98% , CAS No.82185-41-9

CAS: 82185-41-9 Cat. No.: B405213 分子式: C₁₄H₁₃NO₂ 分子量: 227.26 EC番号: 279-911-2

GRADE & PURITY ≥98%

Synonyms

DTXSID10231606 | 2-Aminobenzoic acid benzyl ester | anthranilic acid benzyl ester | B5249 | Benzyl 2-aminobenzoate | SCHEMBL445585 | Benzyl 2-aminobenzoate # | PHOSPHOENOLPYRUVICACIDMONOSODIUMSALT | Benzoic acid, 2-amino-, phenylmethyl ester | FS-4727 | A

Storage

Argon charged,Room temperature

概要

Maximum Absorption Wavelength:334(MeOH)nm

Specifications

同義語

DTXSID10231606 | 2-Aminobenzoic acid benzyl ester | anthranilic acid benzyl ester | B5249 | Benzyl 2-aminobenzoate | SCHEMBL445585 | Benzyl 2-aminobenzoate # | PHOSPHOENOLPYRUVICACIDMONOSODIUMSALT | Benzoic acid, 2-amino-, phenylmethyl ester | FS-4727 | A

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

純度

≥98%

名前と識別子

パブケム・シド

488190136

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488190136

カノニカル・スマイル

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N

IUPAC Name

benzyl 2-aminobenzoate

InChIKey

ZHZPDMZPDWXVMJ-UHFFFAOYSA-N

INCHI

1S/C14H13NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10,15H2

異性体SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N

分子量

227.26

Reaxy-Rn

2808348

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2808348&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzyloxycarbonyls 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 - Benzyloxycarbonyl - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Air Sensitive
• 沸点（°C）: 206 °C/7 mmHg
• 融点（°C）: 78 °C
• 分子量: 227.260 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.095 Da
• Monoisotopic Mass: 227.095 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 249.000
• 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

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 82185-41-9, the molecular formula is C14H13NO2, and the molecular weight is 227.26 g/mol. InChIKey ZHZPDMZPDWXVMJ-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.