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· · COA & SDS available for every product · Same-day shipping on in-stock items TOTU - ≥98% , CAS No.136849-72-4
Synonyms
TOTU | (Z)-N-(6-cyano-2-methyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-ylidene)-N-methylmethanaminium tetrafluoroborate | O-((cyano-(ethoxycarbonyl)-methylidene)amino)-1,1,3,3-tetramethyluronium tetrafluoroborate | N-[[[(1-Cyano-2-ethoxy-2-oxoethylidene)amino
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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
TOTU | (Z)-N-(6-cyano-2-methyl-7-oxo-4, 8-dioxa-2, 5-diazadec-5-en-3-ylidene)-N-methylmethanaminium tetrafluoroborate | O-((cyano-(ethoxycarbonyl)-methylidene)amino)-1, 1, 3, 3-tetramethyluronium tetrafluoroborate | N-[[[(1-Cyano-2-ethoxy-2-oxoethylidene)amino
Specifications & Purity
≥98%
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504760987 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504760987 Canonical Smiles [B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N IUPAC Name [[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate InChIKey FPQVGDGSRVMNMR-UHFFFAOYSA-N INCHI 1S/C10H17N4O3.BF4/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;2-1(3,4)5/h6H2,1-5H3;/q+1;-1 Isomeric SMILES [B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N WGK Germany 3 PubChem CID 2733286 Molecular Weight 328.07 Reaxy-Rn 13171579
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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Carboxylic acid derivatives Intermediate Tree Nodes Not available Direct Parent Carboxylic acid esters Alternative Parents Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Nitriles Monocarboxylic acids and derivatives Carboximidic acids and derivatives Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Carboxylic acid ester - Carboximidic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 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 Sensitivity Light sensitive;Heat sensitive;Moisture sensitive Melt Point(°C) 142-148°C Molecular Weight 328.070 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 6 Exact Mass 328.133 Da Monoisotopic Mass 328.133 Da Topological Polar Surface Area 77.900 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 392.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 1 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 2
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