for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=C(C4=CC=CC=C4C(=C3)N)CCCl)OC)OC |
|---|---|
| IUPAC Name | N-[4-amino-1-(2-chloroethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide |
| InChIKey | MNFPZBOQEWMBOK-UHFFFAOYSA-N |
| INCHI | 1S/C24H24ClN3O4/c1-30-20-11-13-10-19(27-21(13)23(32-3)22(20)31-2)24(29)28-18-12-17(26)15-7-5-4-6-14(15)16(18)8-9-25/h4-7,10-12,27H,8-9,26H2,1-3H3,(H,28,29) |
| Molecular Weight | 453.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxamides and derivatives |
| Alternative Parents | Naphthalenes Indoles 2-heteroaryl carboxamides Anisoles Pyrrole carboxamides Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Primary amines Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxamide derivative - Naphthalene - Indole - 2-heteroaryl carboxamide - Anisole - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organohalogen compound - Primary amine - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. |
| External Descriptors | aromatic ether - organochlorine compound - aromatic amine - indolecarboxamide |
| Molecular Weight | 453.900 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 453.146 Da |
| Monoisotopic Mass | 453.146 Da |
| Topological Polar Surface Area | 98.600 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| 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 |
![N-[4-amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide - CAS No(413577-16-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1247656.jpg)