Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504750886 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750886 |
| Sonrisas canónicas | CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C |
| IUPAC Name | 2-(dimethylamino)ethyl 4-(butylamino)benzoate |
| InChIKey | GKCBAIGFKIBETG-UHFFFAOYSA-N |
| INCHI | 1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 |
| Isómeros SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C |
| RTECS | DG4725000 |
| PubChem CID | 5411 |
| Peso molecular | 264.37 |
| Reaxy-Rn | 2216051 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | 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 Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives 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 - Phenylalkylamine - Secondary aliphatic/aromatic amine - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | tertiary amino compound - benzoate ester |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | May 08, 2026 | T162325 | |
| Certificate of Analysis | May 08, 2026 | T162325 | |
| Certificate of Analysis | May 08, 2026 | T162325 | |
| Certificate of Analysis | Aug 11, 2025 | T162325 | |
| Certificate of Analysis | Jul 17, 2025 | T162325 | |
| Certificate of Analysis | Mar 23, 2024 | T162325 | |
| Certificate of Analysis | Mar 23, 2024 | T162325 |
| Solubilidad | Soluble in Methanol |
|---|---|
| Sensibilidad | Heat sensitive |
| Punto de fusión (°C) | 43 °C |
| Peso molecular | 264.360 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 264.184 Da |
| Monoisotopic Mass | 264.184 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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 |
| 1. Qing Wang, Zhi-Yuan Luo, Mao Ye, Yu-Zhuo Wang, Li Xu, Zhi-guo Shi, Lanying Xu. (2015) Preparation, chromatographic evaluation and application of adenosine 5′-monophosphate modified ZrO2/SiO2 stationary phase in hydrophilic interaction chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:25627970] [10.1016/j.chroma.2015.01.017] |
| 2. Weiping Wang, Ya-Chun Lu, Hong Huang, Ai-Jun Wang, Jian-Rong Chen, Jiu-Ju Feng. (2014) Facile synthesis of N, S-codoped fluorescent carbon nanodots for fluorescent resonance energy transfer recognition of methotrexate with high sensitivity and selectivity. BIOSENSORS & BIOELECTRONICS, [PMID:25310482] [10.1016/j.bios.2014.09.066] |