Skip to the beginning of the images gallery

8-Methoxy-2，3，4，5-tetrahydro-1H-benzo[b]azepine - ≥95%, high purity , CAS No.17422-43-4

COA

Grade & Purity:

≥95%

Cas Number: 17422-43-4
Molecular Weight: 177.24
PubChem CID: 16244477

In stock

Item Number

M691943

Grouped product items
SKU	Size	Availability	Price
M691943-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$444.90
M691943-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$837.90
M691943-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,093.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzazepines
Alternative Parents	Anisoles Secondary alkylarylamines Azepines Aralkylamines Alkyl aryl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzazepine - Anisole - Aralkylamine - Secondary aliphatic/aromatic amine - Azepine - Alkyl aryl ether - Benzenoid - Azacycle - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
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	8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
INCHI	InChI=1S/C11H15NO/c1-13-10-6-5-9-4-2-3-7-12-11(9)8-10/h5-6,8,12H,2-4,7H2,1H3
InChIKey	YOWUBTLYNPKOQO-UHFFFAOYSA-N
Smiles	COC1=CC2=C(CCCCN2)C=C1
Isomeric SMILES	COC1=CC2=C(CCCCN2)C=C1
PubChem CID	16244477
Molecular Weight	177.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.240 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	177.115 Da
Monoisotopic Mass	177.115 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160.000
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	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration