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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items N-Benzyl-2-methyl-4-nitroaniline - ≥97% , CAS No.201157-13-3
Storage
Protected from light,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,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 Specifications & Purity
≥97%
Storage
Protected from light, Room temperature
Names and Identifiers Canonical Smiles CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2 IUPAC Name N-benzyl-2-methyl-4-nitroaniline InChIKey WPJTZCLHFWRBBC-UHFFFAOYSA-N INCHI 1S/C14H14N2O2/c1-11-9-13(16(17)18)7-8-14(11)15-10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3 Isomeric SMILES CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2 PubChem CID 2851650 Molecular Weight 242.27
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 Phenylmethylamines Intermediate Tree Nodes Not available Direct Parent Phenylbenzamines Alternative Parents Nitrotoluenes Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Benzylamines Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylbenzamine - Nitrobenzene - Nitrotoluene - Benzylamine - Nitroaromatic compound - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. 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 Sensitivity light sensitive Molecular Weight 242.270 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 242.106 Da Monoisotopic Mass 242.106 Da Topological Polar Surface Area 57.900 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 271.000 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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