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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(Boc-aminomethyl)benzoic acid - ≥97%(HPLC) , CAS No.117445-22-4
Synonyms
N-Boc-3-Aminomethylbenzoic acid | N-Boc-3-Aminomethyl-benzoic acid | 2,3-DIHYDRO-1H-INDEN-5-YLACETICACID | A2428 | 3-(tert-butoxycarbonylaminomethyl)benzoic acid | 3-(tert-butoxycarbonylamino-methyl)-benzoic acid | 3-(boc-aminomethyl)-benzoic acid | 3-[[(
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Why this grade ≥97%(HPLC) 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
N-Boc-3-Aminomethylbenzoic acid | N-Boc-3-Aminomethyl-benzoic acid | 2, 3-DIHYDRO-1H-INDEN-5-YLACETICACID | A2428 | 3-(tert-butoxycarbonylaminomethyl)benzoic acid | 3-(tert-butoxycarbonylamino-methyl)-benzoic acid | 3-(boc-aminomethyl)-benzoic acid | 3-[[(
Specifications & Purity
≥97%(HPLC)
Names and Identifiers Pubchem Sid 504761422 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761422 Canonical Smiles CC(C)(C)OC(=O)NCC1=CC(=CC=C1)C(=O)O IUPAC Name 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid InChIKey MQNHKLMHRZYTBZ-UHFFFAOYSA-N INCHI 1S/C13H17NO4/c1-13(2,3)18-12(17)14-8-9-5-4-6-10(7-9)11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16) Isomeric SMILES CC(C)(C)OC(=O)NCC1=CC(=CC=C1)C(=O)O WGK Germany 3 PubChem CID 2755929 Molecular Weight 251.28 Beilstein 6957774
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 Not available Direct Parent Benzoic acids Alternative Parents Benzoyl derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoic acid - Benzoyl - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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 Molecular Weight 251.280 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 251.116 Da Monoisotopic Mass 251.116 Da Topological Polar Surface Area 75.600 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 309.000 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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