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5-Amino-2,3-dicyano-1,4-naphthoquinone - ≥97% , CAS No.68217-29-8

5-Amino-2,3-dicyano-1,4-naphthoquinone - ≥97% , CAS No.68217-29-8

CAS: 68217-29-8 Cat. No.: A151363 Molecular Weight: 223.19 EC Number: 672-767-5

COA

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5-Amino-2,3-dicyano-1,4-naphthoquinone - ≥97% CAS No(68217-29-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid	488190748
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190748
Canonical Smiles	C1=CC2=C(C(=C1)N)C(=O)C(=C(C2=O)C#N)C#N
IUPAC Name	5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile
InChIKey	BNBGDHHYNYTXFH-UHFFFAOYSA-N
INCHI	1S/C12H5N3O2/c13-4-7-8(5-14)12(17)10-6(11(7)16)2-1-3-9(10)15/h1-3H,15H2
Isomeric SMILES	C1=CC2=C(C(=C1)N)C(=O)C(=C(C2=O)C#N)C#N
Molecular Weight	223.19
Reaxy-Rn	2848447
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2848447&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthoquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthoquinones
Intermediate Tree Nodes	Not available
Direct Parent	Naphthoquinones
Alternative Parents	Quinones Aryl ketones Vinylogous amides Nitriles Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthoquinone - Quinone - Aryl ketone - Vinylogous amide - Ketone - Carbonitrile - Nitrile - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
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

3D Structure

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
B2308206	Certificate of Analysis	Jan 16, 2023	A151363
B2308178	Certificate of Analysis	Jan 14, 2023	A151363

Chemical and Physical Properties

Molecular Weight	223.190 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	223.038 Da
Monoisotopic Mass	223.038 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	528.000
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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