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3，4-Dihydro-2h-1，4-benzoxazin-8-amine - ≥97%, high purity , CAS No.704879-74-3

COA

Grade & Purity:

≥97%

Cas Number: 704879-74-3
EC Number: 877-543-2
PubChem CID: 17885608

In stock

Item Number

D729097

Grouped product items
SKU	Size	Availability	Price	Qty
D729097-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,304.90
D729097-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,178.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazines
Alternative Parents	Benzomorpholines Secondary alkylarylamines Alkyl aryl ethers Benzenoids Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzomorpholine - Benzoxazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Oxazinane - Benzenoid - Ether - Oxacycle - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one 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	3,4-dihydro-2H-1,4-benzoxazin-8-amine
INCHI	InChI=1S/C8H10N2O/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5,9H2
InChIKey	IUBFVHKXWXHRJS-UHFFFAOYSA-N
Smiles	C1COC2=C(C=CC=C2N1)N
Isomeric SMILES	C1COC2=C(C=CC=C2N1)N
Alternate CAS	704879-74-3
PubChem CID	17885608

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	150.180 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	150.079 Da
Monoisotopic Mass	150.079 Da
Topological Polar Surface Area	47.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140.000
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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