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· · COA & SDS available for every product · Same-day shipping on in-stock items N-(2-aminoethyl)-4-chlorobenzamide , CAS No.87235-61-8
Synonyms
N-(2-aminoethyl)-4-chlorobenzamide | Ro 16-6491 hydrochloride | Ro-166491 | Spectrum_000099 | Ro 16-6941 | Ro-16-6491 | Tocris-0376 | Lopac-R-106 | Spectrum2_001968 | Spectrum3_001603 | Spectrum4_000880 | Spectrum5_001211 | Lopac0_001103 | BSPBio_003205 |
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
N-(2-aminoethyl)-4-chlorobenzamide | Ro 16-6491 hydrochloride | Ro-166491 | Spectrum_000099 | Ro 16-6941 | Ro-16-6491 | Tocris-0376 | Lopac-R-106 | Spectrum2_001968 | Spectrum3_001603 | Spectrum4_000880 | Spectrum5_001211 | Lopac0_001103 | BSPBio_003205 |
Product Properties Names and Identifiers Canonical Smiles C1=CC(=CC=C1C(=O)NCCN)Cl IUPAC Name N-(2-aminoethyl)-4-chlorobenzamide InChIKey AIHKMGLJGLKLSI-UHFFFAOYSA-N INCHI 1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13) Isomeric SMILES C1=CC(=CC=C1C(=O)NCCN)Cl PubChem CID 4289 Molecular Weight 198.65
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 Halobenzoic acids and derivatives Direct Parent 4-halobenzoic acids and derivatives Alternative Parents Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring. 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 Molecular Weight 198.650 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 198.056 Da Monoisotopic Mass 198.056 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 167.000 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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