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2-Butoxyaniline - Reagent grade , CAS No.4469-81-2

2-Butoxyaniline - Reagent grade , CAS No.4469-81-2

Name: 2-Butoxyaniline - Reagent grade , CAS No.4469-81-2
SKU: B479092
Availability: InStock

CAS: 4469-81-2 Cat. No.: B479092 Fórmula: C₁₀H₁₅NO Peso molecular: 165.24 Número CE: 806-255-1

COA

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Disponível para encomenda

GRADE & PURITY Reagent Grade ?

Synonyms

STK728929 | 2-n-Butoxyaniline | Aniline, o-butoxy-, | SR-01000523998-1 | KBio3_002257 | 2-butoxyaniline | Guanidine,N'-bis(2-methylphenyl)- | o-butoxyaniline | Shinnippon Fast Red B Base | NSC 55075 | EN300-51897 | NSC55075 | NSC-55075 | DTXSID20196277 |

Storage

Room temperature

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas FAQs e artigos Calculadoras de soluções Revisões

🧪

Why this grade

Reagent grade Reagent 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

Sinónimos

Especificações e pureza

Reagent grade

Condições de armazenamento de armazenamento

Room temperature

Grau

Reagent Grade

Nomes e identificadores

Sorrisos canónicos

CCCCOC1=CC=CC=C1N

IUPAC Name

2-butoxyaniline

InChIKey

IRTONKUCLPTRNS-UHFFFAOYSA-N

INCHI

1S/C10H15NO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8,11H2,1H3

SMILES isoméricas

CCCCOC1=CC=CC=C1N

Peso molecular

165.24

Reaxy-Rn

2803438

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803438&ln=

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 →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 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
  - Classe Phenol ethers
    - Subclass Aminophenyl ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Phenol ethers
Subclass	Aminophenyl ethers
Intermediate Tree Nodes	Not available
Direct Parent	Aminophenyl ethers
Alternative Parents	Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estrutura 3D

Alvos associados (humanos)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	165.230 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	165.115 Da
Monoisotopic Mass	165.115 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	116.000
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

FAQs e artigos

How to Choose Reagent Grades in Scientific Research? A Practical Guide to Reagent Grade

Categories: Reagent Specifications, Grading and Purity

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Revisões

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