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10，11-Dihydro-5H-benzo[e]pyrrolo[1，2-a][1，4]diazepine - ≥95%, high purity , CAS No.22162-53-4

COA

Grade & Purity:

≥95%

Cas Number: 22162-53-4
Molecular Weight: 184.24
PubChem CID: 15547048

In stock

Item Number

D728466

Grouped product items
SKU	Size	Availability	Price
D728466-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$689.90
D728466-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,148.90
D728466-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,985.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodiazepines
    - Subclass 1,4-benzodiazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodiazepines
Subclass	1,4-benzodiazepines
Intermediate Tree Nodes	Not available
Direct Parent	1,4-benzodiazepines
Alternative Parents	Secondary alkylarylamines Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,4-benzodiazepine - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
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	6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
INCHI	InChI=1S/C12H12N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-7,13H,8-9H2
InChIKey	POAQFKSUTQWHMZ-UHFFFAOYSA-N
Smiles	C1C2=CC=CN2CC3=CC=CC=C3N1
Isomeric SMILES	C1C2=CC=CN2CC3=CC=CC=C3N1
PubChem CID	15547048
Molecular Weight	184.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	184.240 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	184.1 Da
Monoisotopic Mass	184.1 Da
Topological Polar Surface Area	17.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	204.000
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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10，11-Dihydro-5H-benzo[e]pyrrolo[1，2-a][1，4]diazepine - ≥95%, high purity , CAS No.22162-53-4

Basic Description