Benzoctamine Hydrochloride - ≥95% , CAS No.10085-81-1

CAS: 10085-81-1 Cat. No.: B337668 Formule: C₁₈H₂₀ClN Poids moléculaire: 285.81

GRADE & PURITY ≥95%

Synonyms

Benzoctamine-d3Hydrochloride | DTXSID60143543 | 1-Methylaminomethyldibenzo(b,c)bicyclo(2.2.2)octadiene hydrochloride | EINECS 233-216-0 | AKOS040747945 | Benzoctamine hydrochloride [USAN] | Methyl(methyl-9,10-ethano-9(10H)-anthryl)ammonium chloride | Ba-3

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Benzoctamine Hydrochloride is an aromatic amine with antiserotonin activity. It may function by blocking the central postsynaptic serotonin receptors.

Specifications

Synonymes

Benzoctamine-d3Hydrochloride | DTXSID60143543 | 1-Methylaminomethyldibenzo(b,c)bicyclo(2.2.2)octadiene hydrochloride | EINECS 233-216-0 | AKOS040747945 | Benzoctamine hydrochloride [USAN] | Methyl(methyl-9,10-ethano-9(10H)-anthryl)ammonium chloride | Ba-3

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528773913

Sourires canoniques

CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl

IUPAC Name

N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride

InChIKey

NZPJYSIIKYJREH-UHFFFAOYSA-N

INCHI

1S/C18H19N.ClH/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18;/h2-9,13,19H,10-12H2,1H3;1H

Isomères SMILES

CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl

Poids moléculaire

285.81

Reaxy-Rn

6248577

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6248577&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Tetralins Aralkylamines Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Tetralin - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Propriétés chimiques et physiques

• Solubilité: DMSO (Slightly), Methanol (Slightly)
• Sensibilité: Moisture sensitive
• Point de fusion (°C): >271° C (dec.)
• Poids moléculaire: 285.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 285.128 Da
• Monoisotopic Mass: 285.128 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 313.000
• 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