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ISOCHROMAN-6-AMINE - ≥95%, high purity , CAS No.444588-39-0

COA

Grade & Purity:

≥95%

Cas Number: 444588-39-0
PubChem CID: 22269649

In stock

Item Number

I692065

Grouped product items
SKU	Size	Availability	Price	Qty
I692065-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$560.90
I692065-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$942.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 2-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	2-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	2-benzopyrans
Alternative Parents	Benzenoids Oxacyclic compounds Dialkyl ethers Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-benzopyran - Benzenoid - Oxacycle - Ether - Dialkyl ether - 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 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
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-1H-isochromen-6-amine
INCHI	InChI=1S/C9H11NO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5H,3-4,6,10H2
InChIKey	WWUNVOJMYCNULT-UHFFFAOYSA-N
Smiles	C1COCC2=C1C=C(C=C2)N
Isomeric SMILES	C1COCC2=C1C=C(C=C2)N
PubChem CID	22269649

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	149.190 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	149.084 Da
Monoisotopic Mass	149.084 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138.000
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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