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· · COA & SDS available for every product · Same-day shipping on in-stock items Isobutyl 4-Aminobenzoate - ≥98%(GC)(T) , CAS No.94-14-4
Synonyms
Isobutambeno [INN-Spanish] | (2-Methylpropyl) p-aminobenzoate | EINECS 202-308-2 | Isobutyl p-aminobenzobenzoate | NSC 23517 | 4-AMINOBENZOICACIDISOBUTYLESTER | Isobutamben [USAN:INN] | NSC23517 | NSC-23517 | NSC760439 | NSC-760439 | AI3-02764 | Isobutylc
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Why this grade ≥98%(GC)(T) 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
Isobutambeno [INN-Spanish] | (2-Methylpropyl) p-aminobenzoate | EINECS 202-308-2 | Isobutyl p-aminobenzobenzoate | NSC 23517 | 4-AMINOBENZOICACIDISOBUTYLESTER | Isobutamben [USAN:INN] | NSC23517 | NSC-23517 | NSC760439 | NSC-760439 | AI3-02764 | Isobutylc
Specifications & Purity
≥98%(GC)(T)
Names and Identifiers Canonical Smiles CC(C)COC(=O)C1=CC=C(C=C1)N IUPAC Name 2-methylpropyl 4-aminobenzoate InChIKey PUYOAVGNCWPANW-UHFFFAOYSA-N INCHI 1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3 Isomeric SMILES CC(C)COC(=O)C1=CC=C(C=C1)N RTECS DG2955000 Molecular Weight 193.25 Beilstein 14(3)1027 Reaxy-Rn 2804349 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804349&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 Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 Melt Point(°C) 65 °C Molecular Weight 193.240 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 193.11 Da Monoisotopic Mass 193.11 Da Topological Polar Surface Area 52.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 184.000 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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