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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate - ≥98% , CAS No.641569-96-2
Synonyms
Nitric acid--ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate (1/1) | Ethyl 3-Carbamimidoylamino-p-toluate Nitrate | 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate | AC-8509 | AM20090653 | AKOS015888622 | FT-0657303 | MFCD11100711 | 3-[(Aminoi
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Nitric acid--ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate (1/1) | Ethyl 3-Carbamimidoylamino-p-toluate Nitrate | 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate | AC-8509 | AM20090653 | AKOS015888622 | FT-0657303 | MFCD11100711 | 3-[(Aminoi
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488200974 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488200974 Canonical Smiles CCOC(=O)C1=CC(=C(C=C1)C)N=C(N)N.[N+](=O)(O)[O-] IUPAC Name ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid InChIKey YQMZYKJPGMVZJL-UHFFFAOYSA-N INCHI 1S/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4) Isomeric SMILES CCOC(=O)C1=CC(=C(C=C1)C)N=C(N)N.[N+](=O)(O)[O-] PubChem CID 44181764 Molecular Weight 284.27 Reaxy-Rn 14313154
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Aminobenzoic acids and derivatives Direct Parent Guanidinobenzoic acids and derivatives Alternative Parents Benzoic acid esters Benzoyl derivatives Toluenes Organic nitrates Organic nitro compounds Organic nitric acids Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Guanidinobenzoic acid or derivatives - Benzoate ester - Benzoyl - Toluene - Organic nitrate - Carboxylic acid ester - Guanidine - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof). External Descriptors Not available Data sources 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 199 °C Molecular Weight 284.270 g/mol XLogP3 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 284.112 Da Monoisotopic Mass 284.112 Da Topological Polar Surface Area 157.000 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 299.000 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 2
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