≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Canonical Smiles | CC(=O)OC1=CC=C(C=C1)C(CNC)Cl.Cl |
|---|---|
| IUPAC Name | [4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate;hydrochloride |
| InChIKey | WKMYTPCPAWZWII-UHFFFAOYSA-N |
| INCHI | 1S/C11H14ClNO2.ClH/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2;/h3-6,11,13H,7H2,1-2H3;1H |
| Isomeric SMILES | CC(=O)OC1=CC=C(C=C1)C(CNC)Cl.Cl |
| PubChem CID | 9838147 |
| Molecular Weight | 264.15 |
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 |
| Class | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Phenoxy compounds Aralkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Phenoxy compound - Aralkylamine - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | Not available |
| Solubility | Soluble in water, in ethanol to 10 mM and in DMSO to 25 mM |
|---|---|
| Molecular Weight | 264.140 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 263.048 Da |
| Monoisotopic Mass | 263.048 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Xinyu Wang, Xiaohan Wei, Qingfa Tang, Wei Zhong Huang, Yunxia Teng, Zhizhong Liao, XiaoMei Tan, Xin Mao, Xinyu Wang and Xiaohan Wei are common first authors. (2021) Chemometric analysis and quantitative determination of Fici Microcarpae Folium from different geographical regions by HPLC-DAD. JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES, [PMID:] [10.1080/10826076.2021.1943670] |
| 2. Dou Liwei, Xu Lijun, Gao Hong, Song Jie, Shang Shibin, Song Zhanqian. (2024) Red Fluorescent Molecule with Aggregation-Induced Emission Based on Dehydroabietic Acid Diarylamine for Bioimaging. JOURNAL OF FLUORESCENCE, [PMID:38652360] [10.1007/s10895-024-03712-x] |
