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· · COA & SDS available for every product · Same-day shipping on in-stock items Abrucomstat - ≥95% , CAS No.100502-66-7
Synonyms
Abrucomstat [USAN] | HY-139566 | ABRUCOMSTAT [INN] | SY345141 | 1,3-Propanediole mononitrate | 3-Nitrooxypropanol | AKOS040756411 | MS-22756 | PTMLFFXFTRSBJW-UHFFFAOYSA-N | 3-hydroxypropyl Nitrate | UNII-582N19CWP9 | 3-Nitroxypropanol | 1,3-PROPANEDIOL, 1
Shipped In
Ice chest + Ice pads
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C 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.
Overview Abrucomstat (3-Nitroxypropanol) acts as an enzyme inhibitor to decrease ruminal methanogenesis.
Form:Liquid
Specifications Synonyms
Abrucomstat [USAN] | HY-139566 | ABRUCOMSTAT [INN] | SY345141 | 1, 3-Propanediole mononitrate | 3-Nitrooxypropanol | AKOS040756411 | MS-22756 | PTMLFFXFTRSBJW-UHFFFAOYSA-N | 3-hydroxypropyl Nitrate | UNII-582N19CWP9 | 3-Nitroxypropanol | 1, 3-PROPANEDIOL, 1
Specifications & Purity
≥95%
Biochemical and Physiological Mechanisms
Abrucomstat (3-Nitroxypropanol) acts as an enzyme inhibitor to decrease ruminal methanogenesis.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C(CO)CO[N+](=O)[O-] IUPAC Name 3-hydroxypropyl nitrate InChIKey PTMLFFXFTRSBJW-UHFFFAOYSA-N INCHI 1S/C3H7NO4/c5-2-1-3-8-4(6)7/h5H,1-3H2 Isomeric SMILES C(CO)CO[N+](=O)[O-] Alternate CAS 100502-66-7 PubChem CID 10011893 MeSH Entry Terms 3 NP compound;3-nitrooxypropanol Molecular Weight 121.09
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 oxygen compounds Class Organic oxoanionic compounds Subclass Organic nitrates Intermediate Tree Nodes Not available Direct Parent Alkyl nitrates Alternative Parents Organic nitro compounds Organic nitric acids and derivatives Primary alcohols Organic zwitterions Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO : 100 mg/mL (825.83 mM; Need ultrasonic) Molecular Weight 121.090 g/mol XLogP3 0.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 121.038 Da Monoisotopic Mass 121.038 Da Topological Polar Surface Area 75.300 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 68.200 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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