≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CC[C@@H](C3=CC=C(C=C3)F)OC(=O)N)Cl)N.Cl |
|---|---|
| IUPAC Name | [(1S)-3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-1-(4-fluorophenyl)propyl] carbamate;hydrochloride |
| InChIKey | DMJJYQFHCCNBNI-BOXHHOBZSA-N |
| INCHI | 1S/C24H30ClFN4O4.ClH/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16;/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31);1H/t21-;/m0./s1 |
| Molecular Weight | 529.4 |
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 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzamides |
| Alternative Parents | 3-halobenzoic acids and derivatives Benzyloxycarbonyls Aminophenyl ethers Benzamides Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aralkylamines Chlorobenzenes Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Carbamate esters Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrochlorides Organic oxides Organochlorides Primary amines Organofluorides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminobenzamide - Benzyloxycarbonyl - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Benzamide - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Piperidine - Aryl chloride - Aryl fluoride - Aryl halide - Carbamic acid ester - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organohalogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 529.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 528.171 Da |
| Monoisotopic Mass | 528.171 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 659.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
