p-Anisidine - ≥99% , CAS No.104-94-9

CAS: 104-94-9 Cat. No.: A106071 분자식: C₇H₉NO 분자량: 123.15 Beilstein Registry Number: 471556 EC 번호: 203-254-2

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥99%

보관 조건

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

배송

Wet ice,FedEx DG Service

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순수함

≥99%

이름과 식별자

Pubchem Sid

508813275

정식 스마일

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

이성체 SMILES

COC1=CC=C(C=C1)N

WGK 독일

2

RTECS

BZ5450000

UN 번호

2431

포장 그룹

III

분자량

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
    • 분류 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

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

관련 대상(비인간)

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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in acetone, benzene, ether and ethanol. Insoluble in water.
• 감도: Light sensitive；Air & Moisture Sensitive；Heat sensitive
• 발화점(°F): 251.6 °F
• 발화점(°C): 122℃
• 끓는점(°C): 240-243°C
• 녹는점(°C): 56-59°C
• 분자량: 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