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

COA

Grade & Purity:

≥95%

Cas Number: 10085-81-1
Molecular Weight: 285.81
PubChem CID: 66275

In stock

Item Number

B337668

Grouped product items
SKU	Size	Availability	Price	Qty
B337668-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90
B337668-10mg	10mg	2	$379.90

an aromatic amine

View related series

Class A GPCR (4138)

Basic Description

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
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Benzoctamine Hydrochloride is an aromatic amine with antiserotonin activity. It may function by blocking the central postsynaptic serotonin receptors.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Anthracenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
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

Names and Identifiers

IUPAC Name	N-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride
INCHI	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
InChIKey	NZPJYSIIKYJREH-UHFFFAOYSA-N
Smiles	CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl
Isomeric SMILES	CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl
Molecular Weight	285.81
Reaxy-Rn	6248577
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6248577&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
C2527300	Certificate of Analysis	Oct 11, 2022	B337668
K2229283	Certificate of Analysis	Oct 11, 2022	B337668

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Sensitivity	Moisture sensitive
Melt Point(°C)	>271° C (dec.)
Molecular Weight	285.800 g/mol
XLogP3
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 Å²
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

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