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1H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-one hydrochloride - 97%, high purity , CAS No.71222-44-1

COA

Grade & Purity:

≥97%

Cas Number: 71222-44-1
Molecular Weight: 186.6
MDL number: MFCD23105840
PubChem CID: 70588638

In stock

Item Number

H634417

Grouped product items
SKU	Size	Availability	Price
H634417-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
H634417-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90
H634417-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$444.90
H634417-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90
H634417-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,336.90

Basic Description

Synonyms	71222-44-1 \| 4,7-dihydroimidazo[4,5-d][1,3]diazepin-8(1H)-one hydrochloride \| 1H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-one hydrochloride \| 4,7-Dihydro-imidazole[4,5-d]1,3-diazepine-8(1H)-one HCl \| 4,7-dihydro-1H-imidazo[4,5-d][1,3]diazepin-8-one \| hydroc
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazodiazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazodiazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Imidazodiazepines
Alternative Parents	Aryl alkyl ketones 1,3-diazepines Quaternary ammonium salts Imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Imidazo-meta-diazepine - Imidazodiazepine - Aryl alkyl ketone - Aryl ketone - Meta-diazepine - Azole - Heteroaromatic compound - Imidazole - Quaternary ammonium salt - Ketone - Amidine - Carboxylic acid amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as imidazodiazepines. These are organic compounds containing an imidazole ring fused to a diazepine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
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	4,7-dihydro-1H-imidazo[4,5-d][1,3]diazepin-8-one;hydrochloride
INCHI	InChI=1S/C6H6N4O.ClH/c11-4-1-7-2-9-6-5(4)8-3-10-6;/h2-3H,1H2,(H,7,9)(H,8,10);1H
InChIKey	IOUSBGFCJXEEEL-UHFFFAOYSA-N
Smiles	C1C(=O)C2=C(NC=N1)N=CN2.Cl
Isomeric SMILES	C1C(=O)C2=C(NC=N1)N=CN2.Cl
PubChem CID	70588638
Molecular Weight	186.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.600 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	186.031 Da
Monoisotopic Mass	186.031 Da
Topological Polar Surface Area	70.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	203.000
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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