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1，8-Di-p-toluidinoanthraquinone - ≥98%, high purity , CAS No.82-16-6

COA

Grade & Purity:

≥98%

Cas Number: 82-16-6
Molecular Weight: 418.49
PubChem CID: 66500

In stock

Item Number

D768330

Grouped product items
SKU	Size	Availability	Price
D768330-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$268.90
D768330-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$530.90
D768330-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$965.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Anthracenes
    - Subclass Anthraquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Anthracenes
Subclass	Anthraquinones
Intermediate Tree Nodes	Not available
Direct Parent	Anthraquinones
Alternative Parents	Aryl ketones Aniline and substituted anilines Aminotoluenes Vinylogous amides Secondary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	9,10-anthraquinone - Anthraquinone - Aryl ketone - Aniline or substituted anilines - Aminotoluene - Toluene - Monocyclic benzene moiety - Vinylogous amide - Ketone - Secondary amine - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
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	1,8-bis(4-methylanilino)anthracene-9,10-dione
INCHI	InChI=1S/C28H22N2O2/c1-17-9-13-19(14-10-17)29-23-7-3-5-21-25(23)28(32)26-22(27(21)31)6-4-8-24(26)30-20-15-11-18(2)12-16-20/h3-16,29-30H,1-2H3
InChIKey	YNPQDABMOAMHNC-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC5=CC=C(C=C5)C
Isomeric SMILES	CC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC5=CC=C(C=C5)C
PubChem CID	66500
Molecular Weight	418.49

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	418.500 g/mol
XLogP3	7.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	418.168 Da
Monoisotopic Mass	418.168 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	623.000
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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