p-Anisidine - ≥99% , CAS No.104-94-9

CAS: 104-94-9 Cat. No.: A106071 Formule: C₇H₉NO Poids moléculaire: 123.15 Beilstein Registry Number: 471556 Numéro CE: 203-254-2

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

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

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508813275

Sourires canoniques

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

Isomères SMILES

COC1=CC=C(C=C1)N

WGK Allemagne

2

RTECS

BZ5450000

Numéro ONU

2431

Groupe d'emballage

III

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Cibles associées (non humaines)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Mycobacterium tuberculosis (203094 Activities)

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Plasmodium falciparum (966862 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in acetone, benzene, ether and ethanol. Insoluble in water.
• Sensibilité: Light sensitive；Air & Moisture Sensitive；Heat sensitive
• Point d'éclair (°F): 251.6 °F
• Point d'éclair (°C): 122℃
• Point d'ébullition (°C): 240-243°C
• Point de fusion (°C): 56-59°C
• Poids moléculaire: 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