p-Anisidine - ≥99% , CAS No.104-94-9

CAS: 104-94-9 Cat. No.: A106071 Fórmula: C₇H₉NO Peso molecular: 123.15 Beilstein Registry Number: 471556 Número CE: 203-254-2

GRAU & PUREZA ≥99%

Synonyms

InChI=1/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H | STR00220 | para-methoxy aniline | p-Methoxyaniline | p-methoxy-aniline | 4-Methoxyaniline--d4 | EINECS 203-254-2 | AC-565 | FT-0693135 | NSC7921 | NSC-7921 | UNII-575917SNR4 | 4-(methyloxy)aniline | 4meth

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

Visão geral

An aromatic compound used in the detection of aldehydes or ketones in oils.

Especificações

Sinónimos

InChI=1/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H | STR00220 | para-methoxy aniline | p-Methoxyaniline | p-methoxy-aniline | 4-Methoxyaniline--d4 | EINECS 203-254-2 | AC-565 | FT-0693135 | NSC7921 | NSC-7921 | UNII-575917SNR4 | 4-(methyloxy)aniline | 4meth

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508813275

Sorrisos canónicos

COC1=CC=C(C=C1)N

IUPAC Name

4-methoxyaniline

InChIKey

BHAAPTBBJKJZER-UHFFFAOYSA-N

INCHI

1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

SMILES isoméricas

COC1=CC=C(C=C1)N

WGK Alemanha

2

RTECS

BZ5450000

Número UN

2431

Grupo de embalagem

III

Peso molecular

123.15

Beilstein

471556

Reaxy-Rn

471556

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471556&ln=

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: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - 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: methoxybenzene

Data sources

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

Alvos associados (humanos)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Lymphoblastoid cell (5959 Activities)

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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)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Mycobacterium tuberculosis (203094 Activities)

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Plasmodium falciparum (966862 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in acetone, benzene, ether and ethanol. Insoluble in water.
• Sensibilidade: Light sensitive；Air & Moisture Sensitive；Heat sensitive
• Ponto de inflamação (°F): 251.6 °F
• Ponto de inflamação (°C): 122℃
• Ponto de ebulição (°C): 240-243°C
• Ponto de fusão (°C): 56-59°C
• Peso molecular: 123.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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