≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 2.4 |
|---|
| Canonical Smiles | CCOC(=O)NC1=NC(=C2C(=C1)NC(C(=N2)C3=CC=CC=C3)C)N |
|---|---|
| IUPAC Name | ethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate |
| InChIKey | XXBDOTXPQDVHIP-JTQLQIEISA-N |
| INCHI | 1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1 |
| Isomeric SMILES | CCOC(=O)NC1=NC(=C2C(=C1)N[C@H](C(=N2)C3=CC=CC=C3)C)N |
| PubChem CID | 182763 |
| Molecular Weight | 325.4 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Aminopyridines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyridines and derivatives |
| Alternative Parents | Secondary alkylarylamines Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminopyridine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Ketimine - Carbonic acid derivative - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Imine - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 325.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 325.154 Da |
| Monoisotopic Mass | 325.154 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| 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 | 1 |
