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1H-Indazol-3-amine, 4-(1H-pyrrol-1-yl)- , CAS No.404827-79-8
Disponible para pedir
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
| Sonrisas canónicas | C1=CN(C=C1)C2=CC=CC3=C2C(=NN3)N |
|---|---|
| IUPAC Name | 4-pyrrol-1-yl-1H-indazol-3-amine |
| InChIKey | AOALORIJOUUMIN-UHFFFAOYSA-N |
| INCHI | 1S/C11H10N4/c12-11-10-8(13-14-11)4-3-5-9(10)15-6-1-2-7-15/h1-7H,(H3,12,13,14) |
| Peso molecular | 198.220 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Benzopyrazoles
- Subclass Indazoles
- Clase Benzopyrazoles
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Substituted pyrroles Imidolactams Benzenoids Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Substituted pyrrole - Benzenoid - Imidolactam - Azole - Pyrazole - Pyrrole - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 198.220 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 198.091 Da |
| Monoisotopic Mass | 198.091 Da |
| Topological Polar Surface Area | 59.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
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