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5-Amino-3-methylbenzo[d]isoxazole - 95%, high purity , CAS No.851768-35-9

COA

Grade & Purity:

≥95%

Cas Number: 851768-35-9
Molecular Weight: 148.16
PubChem CID: 21345397

In stock

Item Number

A195315

Grouped product items
SKU	Size	Availability	Price	Qty
A195315-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
A195315-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$94.90

Discover 5-Amino-3-methylbenzo[d]isoxazole by Aladdin Scientific in 95% for only $28.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Amino-3-methylbenzo[d]isoxazole \| 851768-35-9 \| 3-Methyl-1,2-benzoxazol-5-amine \| 3-methylbenzo[d]isoxazol-5-amine \| 1,2-Benzisoxazol-5-amine, 3-methyl- \| 3-Methyl-benzo[d]isoxazol-5-ylamine \| SCHEMBL5334311 \| DTXSID00612647 \| TQR0808 \| WDDYNCREWBOZLG-UHFFFAOYSA-N \| MFCD11
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzisoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzisoxazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzisoxazoles
Alternative Parents	Benzenoids Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzisoxazole - Benzenoid - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
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-methyl-1,2-benzoxazol-5-amine
INCHI	InChI=1S/C8H8N2O/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3
InChIKey	WDDYNCREWBOZLG-UHFFFAOYSA-N
Smiles	CC1=NOC2=C1C=C(C=C2)N
Isomeric SMILES	CC1=NOC2=C1C=C(C=C2)N
Molecular Weight	148.16
Reaxy-Rn	128450
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128450&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	148.160 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	148.064 Da
Monoisotopic Mass	148.064 Da
Topological Polar Surface Area	52.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151.000
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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