≥98% 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 | C1=CC=C(C=C1)CNC2=NC=C(C=N2)Br |
|---|---|
| IUPAC Name | N-benzyl-5-bromopyrimidin-2-amine |
| InChIKey | SEJMYSXXRMYOGT-UHFFFAOYSA-N |
| INCHI | 1S/C11H10BrN3/c12-10-7-14-11(15-8-10)13-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14,15) |
| Isomeric SMILES | C1=CC=C(C=C1)CNC2=NC=C(C=N2)Br |
| Molecular Weight | 264.1 |
| Reaxy-Rn | 178392 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=178392&ln= |
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 | Benzylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylamines |
| Alternative Parents | Halopyrimidines Aminopyrimidines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Aminopyrimidine - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylamines. These are organic compounds containing benzylamine, which consists of a benzene group attached to an amine group. |
| External Descriptors | Not available |
| Molecular Weight | 264.120 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 263.006 Da |
| Monoisotopic Mass | 263.006 Da |
| Topological Polar Surface Area | 37.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 175.000 |
| 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 |
