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Astrazon Brilliant Red 4G - Analytical Reagent, high purity , CAS No.12217-48-0

COA

Grade & Purity:

Cas Number: 12217-48-0
Molecular Weight: 379.9
MDL number: MFCD00071429
PubChem CID: 6435842
PubChem SID: 488195777

In stock

Item Number

A302650

Grouped product items
SKU	Size	Availability	Price
A302650-5g	5g	10	$15.90
A302650-25g	25g	10	$60.90
A302650-100g	100g	10	$218.90
A302650-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$984.90

Basic Description

Synonyms	2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride \| Basic Red 14 \| 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile;chloride \| CI BASIC RED 14 \| SYNACRIL BRILLIANT RED 4G \| CI BASIC R
Specifications & Purity	AR
Storage Temp	Room temperature
Shipped In	Normal
Grade	AR

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	3-alkylindoles
Alternative Parents	Styrenes Dialkylarylamines Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-alkylindole - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Azacycle - Organic salt - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organonitrogen compound - Amine - Organic chloride salt - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-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

Pubchem Sid	488195777
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195777
IUPAC Name	3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile;chloride
INCHI	InChI=1S/C23H26N3.ClH/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;/h5-6,8-15H,7,17H2,1-4H3;1H/q+1;/p-1
InChIKey	NJIRSTSECXKPCO-UHFFFAOYSA-M
Smiles	CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.[Cl-]
Isomeric SMILES	CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.[Cl-]
Molecular Weight	379.9
Reaxy-Rn	57150287
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57150287&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
E2304084	Certificate of Analysis	Mar 30, 2023	A302650
D2328058	Certificate of Analysis	Mar 30, 2023	A302650
D2328059	Certificate of Analysis	Mar 30, 2023	A302650
D2328060	Certificate of Analysis	Mar 30, 2023	A302650
D2328062	Certificate of Analysis	Mar 30, 2023	A302650
D2328063	Certificate of Analysis	Mar 30, 2023	A302650
D2328061	Certificate of Analysis	Mar 30, 2023	A302650
D2328066	Certificate of Analysis	Mar 30, 2023	A302650
C2317987	Certificate of Analysis	Mar 07, 2023	A302650
C2318111	Certificate of Analysis	Mar 07, 2023	A302650

Chemical and Physical Properties

Molecular Weight	379.900 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	379.182 Da
Monoisotopic Mass	379.182 Da
Topological Polar Surface Area	30.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	598.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	2

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