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3-Benzyl-5-Bromopyrazin-2-Amine , CAS No.174680-55-8

COA

Cas Number: 174680-55-8
PubChem CID: 2762549

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Item Number

B700518

Grouped product items
SKU	Size	Availability	Price
B700518-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$467.90
B700518-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$778.90
B700518-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,910.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrazines
Intermediate Tree Nodes	Not available
Direct Parent	Aminopyrazines
Alternative Parents	Imidolactams Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyrazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine 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	3-benzyl-5-bromopyrazin-2-amine
INCHI	InChI=1S/C11H10BrN3/c12-10-7-14-11(13)9(15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14)
InChIKey	ZHWYHVYXEQYEQV-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CC2=NC(=CN=C2N)Br
Isomeric SMILES	C1=CC=C(C=C1)CC2=NC(=CN=C2N)Br
Alternate CAS	174680-55-8
PubChem CID	2762549

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	264.120 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	263.006 Da
Monoisotopic Mass	263.006 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	194.000
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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