Benzocaine hydrochloride - Moligand™, ≥99% , CAS No.23239-88-5

CAS: 23239-88-5 Cat. No.: B413165 Peso molecular: 201.65 Número EC: 607-211-2

GRADE & PURITY Moligand™, ≥99%

Synonyms

ethyl 4-aminobenzoate;hydrochloride | Benzocaine.HCl | Hydrochloride, Benzocaine | Q27285637 | DTXSID50177812 | AKOS015964248 | E79058 | PS-7707 | Benzocaine (hydrochloride) | DTXCID10100303 | SCHEMBL944986 | AMBEN ETHYL ESTER HYDROCHLORIDE | BENZOIC ACID

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Benzocaine hydrochloride Benzocaine hydrochloride (Ethyl 4-aminobenzoate, Ethyl p-aminobenzoate) is a surface anesthetic that acts by preventing transmission of impulses along nerve fibers and at nerve endings.

Specifications

Sinónimos

ethyl 4-aminobenzoate;hydrochloride | Benzocaine.HCl | Hydrochloride, Benzocaine | Q27285637 | DTXSID50177812 | AKOS015964248 | E79058 | PS-7707 | Benzocaine (hydrochloride) | DTXCID10100303 | SCHEMBL944986 | AMBEN ETHYL ESTER HYDROCHLORIDE | BENZOIC ACID

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Benzocaine hydrochloride (Ethyl 4-aminobenzoate, Ethyl p-aminobenzoate) is a surface anesthetic that acts by preventing transmission of impulses along nerve fibers and at nerve endings.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥99%

Propiedades del producto

• ALogP: 1.669
• hba_count: 2
• Recuento HBD: 1
• Enlace rotable: 3

Nombres e identificadores

• Pubchem Sid: 504765331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765331
• Sonrisas canónicas: CCOC(=O)C1=CC=C(C=C1)N.Cl
• IUPAC Name: ethyl 4-aminobenzoate;hydrochloride
• InChIKey: JAADDQHUJDUAKW-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2,10H2,1H3;1H
• Isómeros SMILES: CCOC(=O)C1=CC=C(C=C1)N.Cl
• Peso molecular: 201.65
• Reaxy-Rn: 3915150
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915150&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Carboxylic acid esters Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 40 mg/mL (198.36 mM); Ethanol: 40 mg/mL (198.36 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 40
• DMSO (mM) Solubilidad máxima: 198.3635011
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 201.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.056 Da
• Monoisotopic Mass: 201.056 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• 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

Referencias

1. Zukang Chen, Shuguang Cao, Shizi Luo, Lavrenty G. Gutsev, Xiaoli Chen, Victoria V. Ozerova, Nikita A. Emelianov, Nikita A. Slesarenko, Valeria S. Bolshakova, Yupeng Zheng, Zhuoneng Bi, Sergey M. Aldoshin, Pavel A. Troshin, Bala R. Ramachandran, Gennady L. Gutsev, Hsien-Yi Hsu, Qifan Xue, Xueqing Xu.  (2024)  Enhanced Performance and Stability of Perovskite Solar Cells Through Surface Modification with Benzocaine Hydrochloride.  ACS Applied Materials & Interfaces,      [PMID:39283191] [10.1021/acsami.4c09850]