≥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 | CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC)Cl |
|---|---|
| IUPAC Name | 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine |
| InChIKey | OJBBZIACVFADED-UHFFFAOYSA-N |
| INCHI | 1S/C27H28ClN5O2/c1-18-15-19(23-17-22(34-2)9-10-24(23)28)16-25-26(18)30-27(32-31-25)29-20-5-7-21(8-6-20)35-14-13-33-11-3-4-12-33/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,30,32) |
| Molecular Weight | 490 |
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 ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Aniline and substituted anilines Chlorobenzenes Aminotriazines Alkyl aryl ethers N-alkylpyrrolidines Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Aminotriazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - N-alkylpyrrolidine - 1,2,4-triazine - Pyrrolidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 490.000 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 489.193 Da |
| Monoisotopic Mass | 489.193 Da |
| Topological Polar Surface Area | 72.400 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| 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 |
![7-(2-chloro-5-methoxyphenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine - ≥95% , CAS No.867331-63-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)