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· · COA & SDS available for every product · Same-day shipping on in-stock items N-(Carbobenzoxy)aminoacetonitrile - ≥95%(N) , CAS No.3589-41-1
Synonyms
AS-59807 | N-(Carbobenzoxy)aminoacetonitrile | CCG-51212 | FT-0634917 | AKOS005203280 | MFCD00033175 | 3S9 | Carbamic acid, (cyanomethyl)-, phenylmethyl ester | DTXSID30288213 | IDI1_016771 | Maybridge3_005384 | Benzyl(cyanomethyl)carbamate | Z1255386820
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Why this grade ≥95%(N) 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
AS-59807 | N-(Carbobenzoxy)aminoacetonitrile | CCG-51212 | FT-0634917 | AKOS005203280 | MFCD00033175 | 3S9 | Carbamic acid, (cyanomethyl)-, phenylmethyl ester | DTXSID30288213 | IDI1_016771 | Maybridge3_005384 | Benzyl(cyanomethyl)carbamate | Z1255386820
Specifications & Purity
≥95%(N)
Names and Identifiers Pubchem Sid 488188962 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188962 Canonical Smiles C1=CC=C(C=C1)COC(=O)NCC#N IUPAC Name benzyl N-(cyanomethyl)carbamate InChIKey DVUXKEFDAGQPQU-UHFFFAOYSA-N INCHI 1S/C10H10N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13) Isomeric SMILES C1=CC=C(C=C1)COC(=O)NCC#N WGK Germany 3 Molecular Weight 190.2 Reaxy-Rn 1964225 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1964225&ln=
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 Benzyloxycarbonyls Intermediate Tree Nodes Not available Direct Parent Benzyloxycarbonyls Alternative Parents Carbamate esters Organic carbonic acids and derivatives Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Benzyloxycarbonyl - Carbamic acid ester - Carbonic acid derivative - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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 Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Melt Point(°C) 59 °C Molecular Weight 190.200 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 190.074 Da Monoisotopic Mass 190.074 Da Topological Polar Surface Area 62.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 226.000 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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