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5H,6H,7H,8H,9H-pyrido[2,3-d]azepine - 97%, high purity , CAS No.1211534-87-0

COA

Grade & Purity:

≥97%

Cas Number: 1211534-87-0
Molecular Weight: 148.209
PubChem CID: 23122743

In stock

Item Number

H172610

Grouped product items
SKU	Size	Availability	Price	Qty
H172610-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,622.90

Basic Description

Synonyms	5H,6H,7H,8H,9H-pyrido[2,3-d]azepine \| 1211534-87-0 \| 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine \| 6,7,8,9-Tetrahydro-5H-pyrido[3,2-d]azepine \| MFCD18258965 \| SCHEMBL1041309 \| QIBPEANLJGMFBP-UHFFFAOYSA-N \| AKOS023398120 \| SB12860 \| AS-51273 \| SY244824 \| CS-0050471 \| P12285
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azepines
Alternative Parents	Aralkylamines Pyridines and derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aralkylamine - Azepine - Pyridine - Heteroaromatic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member 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	6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
INCHI	InChI=1S/C9H12N2/c1-2-8-3-6-10-7-4-9(8)11-5-1/h1-2,5,10H,3-4,6-7H2
InChIKey	QIBPEANLJGMFBP-UHFFFAOYSA-N
Smiles	C1CNCCC2=C1C=CC=N2
Isomeric SMILES	C1CNCCC2=C1C=CC=N2
Molecular Weight	148.209
Reaxy-Rn	23945096
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23945096&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	148.200 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	148.1 Da
Monoisotopic Mass	148.1 Da
Topological Polar Surface Area	24.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	125.000
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

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