≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCN(CC1=CC=C(C=C1)C(=O)O)C2CC2.Cl |
|---|---|
| IUPAC Name | 4-[[cyclopropyl(ethyl)amino]methyl]benzoic acid;hydrochloride |
| InChIKey | SMVLJHLOUHABFT-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO2.ClH/c1-2-14(12-7-8-12)9-10-3-5-11(6-4-10)13(15)16;/h3-6,12H,2,7-9H2,1H3,(H,15,16);1H |
| Isomeric SMILES | CCN(CC1=CC=C(C=C1)C(=O)O)C2CC2.Cl |
| PubChem CID | 47003009 |
| Molecular Weight | 255.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| 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 | Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Trialkylamines Amino acids Carboxylic acids Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - 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 |
| Molecular Weight | 255.740 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 255.103 Da |
| Monoisotopic Mass | 255.103 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 | 2 |
![4-{[Cyclopropyl(ethyl)amino]methyl}benzoic acid hydrochloride - ≥95% , CAS No.1240527-23-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)