N-(2-Chloroethyl)dibenzylamine Hydrochloride - ≥98% , CAS No.55-43-6

CAS: 55-43-6 Cat. No.: N159472 Molecular Weight: 296.24 EC Number: 200-234-5

GRADE & PURITY ≥98%

Synonyms

HY-128380 | Dibenzyl(2-chloroethyl)ammonium chloride | N-(2-Chloroethyl) dibenzylamine hydrochloride | N-(2-CHLOROETHYL)DIBENZYLAMINE HCl | N-(2-Chloroethyl)dibenzylamine hydrochloride, 98% | SCHEMBL334991 | 2-Chloroethyldibenzylamine hydrochloride | DIBE

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

N-(2-Chloroethyl)dibenzylamine hydrochloride is also referred as dibenamine. Mechanism of protection against carbon tetrachloride-induced hepatotoxicity produced by pretreatment with [N-(2-chloroethyl) dibenzylamine] hydrochloride has been investigated. It is a powerful adrenergic blocking agent, is known to modify the pharmacological effects of epinephrine.

Specifications

Synonyms

HY-128380 | Dibenzyl(2-chloroethyl)ammonium chloride | N-(2-Chloroethyl) dibenzylamine hydrochloride | N-(2-CHLOROETHYL)DIBENZYLAMINE HCl | N-(2-Chloroethyl)dibenzylamine hydrochloride, 98% | SCHEMBL334991 | 2-Chloroethyldibenzylamine hydrochloride | DIBE

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504750960
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750960
• Canonical Smiles: C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2.Cl
• IUPAC Name: N,N-dibenzyl-2-chloroethanamine;hydrochloride
• InChIKey: LZXCEBPGNFLHEQ-UHFFFAOYSA-N
• INCHI: 1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
• Isomeric SMILES: C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2.Cl
• WGK Germany: 3
• RTECS: HQ6825000
• Molecular Weight: 296.24
• Reaxy-Rn: 3917388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Hydrocarbon derivative - Hydrochloride - Alkyl halide - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Amine - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Associated Targets(non-human)

Vas deferens (9 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light and moisture sensitive
• Melt Point(°C): 190 °C(dec.)
• Molecular Weight: 296.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 295.089 Da
• Monoisotopic Mass: 295.089 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 187.000
• 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

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