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3-aminobenzo[e][1，2，4]triazine 1-oxide - ≥97%, high purity , CAS No.5424-06-6

COA

Grade & Purity:

≥97%

Cas Number: 5424-06-6
PubChem CID: 79470

In stock

Item Number

A770722

Grouped product items
SKU	Size	Availability	Price	Qty
A770722-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$124.90
A770722-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Triazines
    - Subclass Aminotriazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazines
Subclass	Aminotriazines
Intermediate Tree Nodes	Not available
Direct Parent	Aminotriazines
Alternative Parents	Benzenoids 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aminotriazine - 1,2,4-triazine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.
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	1-oxido-1,2,4-benzotriazin-1-ium-3-amine
INCHI	InChI=1S/C7H6N4O/c8-7-9-5-3-1-2-4-6(5)11(12)10-7/h1-4H,(H2,8,9,10)
InChIKey	BBRWGJRKAHEZBG-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)N=C(N=[N+]2[O-])N
Isomeric SMILES	C1=CC=C2C(=C1)N=C(N=[N+]2[O-])N
PubChem CID	79470

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	162.150 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	162.054 Da
Monoisotopic Mass	162.054 Da
Topological Polar Surface Area	77.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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