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N-(5-Bromo-2-methoxybenzyl)cyclopentanamine , CAS No.418779-19-8
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 | COC1=C(C=C(C=C1)Br)CNC2CCCC2 |
|---|---|
| IUPAC Name | N-[(5-bromo-2-methoxyphenyl)methyl]cyclopentanamine |
| InChIKey | KBSIDOFHGNVUBC-UHFFFAOYSA-N |
| INCHI | 1S/C13H18BrNO/c1-16-13-7-6-11(14)8-10(13)9-15-12-4-2-3-5-12/h6-8,12,15H,2-5,9H2,1H3 |
| Peso molecular | 284.190 |
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 Benzenoids
- Clase Benzene and substituted derivatives
- Subclass Phenylmethylamines
- Clase Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Bromobenzenes Aralkylamines Alkyl aryl ethers Aryl bromides Dialkylamines Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl bromide - Ether - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| 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 | 284.190 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 283.057 Da |
| Monoisotopic Mass | 283.057 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 206.000 |
| 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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