Ethyl 3-hydrazinobenzoate hydrochloride - ≥95% , CAS No.940875-99-0

CAS: 940875-99-0 Cat. No.: E479828 分子式: C₉H₁₃ClN₂O₂ 分子量: 216.66 EC番号: 804-834-3

GRADE & PURITY ≥95%

Synonyms

Ethyl 3-hydrazinobenzoate hydrochloride | Ethyl 3-hydrazinylbenzoate--hydrogen chloride (1/1) | Ethyl 3-hydrazinylbenzoate hydrochloride | MFCD06796173 | AKOS015958917 | ethyl 3-hydrazinylbenzoate;hydrochloride | SCHEMBL971443 | ethyl 3-hydrazinylbenzoate

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

Ethyl 3-hydrazinobenzoate hydrochloride | Ethyl 3-hydrazinylbenzoate--hydrogen chloride (1/1) | Ethyl 3-hydrazinylbenzoate hydrochloride | MFCD06796173 | AKOS015958917 | ethyl 3-hydrazinylbenzoate;hydrochloride | SCHEMBL971443 | ethyl 3-hydrazinylbenzoate

仕様と純度

≥95%

法的情報

Product of ChemBridge Corp.

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• パブケム・シド: 504770393
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504770393
• カノニカル・スマイル: CCOC(=O)C1=CC(=CC=C1)NN.Cl
• IUPAC Name: ethyl 3-hydrazinylbenzoate;hydrochloride
• InChIKey: YMKGDNLSBACMSE-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O2.ClH/c1-2-13-9(12)7-4-3-5-8(6-7)11-10;/h3-6,11H,2,10H2,1H3;1H
• 異性体SMILES: CCOC(=O)C1=CC(=CC=C1)NN.Cl
• WGKドイツ: 3
• 代替CAS番号: 90556-87-9
• 分子量: 216.66
• Reaxy-Rn: 23204285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23204285&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: Phenylhydrazines Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenylhydrazine - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - 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

• 分子量: 216.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.067 Da
• Monoisotopic Mass: 216.067 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 173.000
• 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: 2

XLogP3