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6-amino-3-methyl-1,3-benzoxazol-2-one - 97%, high purity , CAS No.99584-10-8

COA

Grade & Purity:

≥97%

Cas Number: 99584-10-8
Molecular Weight: 164.16
EC Number: 824-556-6
PubChem CID: 6486006

In stock

Item Number

A635395

Grouped product items
SKU	Size	Availability	Price
A635395-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
A635395-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90
A635395-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$215.90
A635395-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$429.90

Basic Description

Synonyms	6-amino-3-methyl-1,3-benzoxazol-2(3H)-one \| EN300-68306 \| STL444734 \| SYV \| 6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one \| LS-08919 \| 4,4-DICYANO-2,2-BIPYRIDINE \| CCG-344337 \| HMS1703K01 \| FPNLXQSOWBNXCN-UHFFFAOYSA-N \| DTXSID20424547 \| 6-Amino-3-meth
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazoles
    - Subclass Benzoxazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazoles
Subclass	Benzoxazolones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazolones
Alternative Parents	Primary aromatic amines Benzenoids Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazolone - Primary aromatic amine - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
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-amino-3-methyl-1,3-benzoxazol-2-one
INCHI	InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
InChIKey	FPNLXQSOWBNXCN-UHFFFAOYSA-N
Smiles	CN1C2=C(C=C(C=C2)N)OC1=O
Isomeric SMILES	CN1C2=C(C=C(C=C2)N)OC1=O
Alternate CAS	99584-10-8
PubChem CID	6486006
Molecular Weight	164.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.160 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	164.059 Da
Monoisotopic Mass	164.059 Da
Topological Polar Surface Area	55.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	207.000
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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