p-디메틸아미노벤잘데히드 - ACS, ≥99% , CAS No.100-10-7

CAS: 100-10-7 Cat. No.: D109644 분자식: (CH₃)₂NC₆H₄CHO 분자량: 149.19 Beilstein Registry Number: 606802 EC 번호: 202-819-0

GRADE & PURITY ACS, ≥99%

Synonyms

4-디메틸아미노벤즈알데히드 | 4-(디메틸아미노)벤즈알데히드

Storage

아르곤 충전

Shipped In

보통

개요

인돌, 피롤 및 아민 분석용 시약입니다.

Specifications

동의어

4-디메틸아미노벤즈알데히드 | 4-(디메틸아미노)벤즈알데히드

사양 및 순도

ACS, ≥99%

생화학 및 생리적 메커니즘

4-(디메틸아미노)벤즈알데히드는 아민, 피롤 및 인돌과 다채로운 쉬프 염기 부가물을 형성하는 단순 알데히드로, 단백질에서 이러한 작용기를 포함하는 잔류물을 분석하는 데 사용할 수 있습니다. 4-(디메틸아미노)벤즈알데히드는 종종 다음과 같은 용도로 사용됩니다

보관 조건

아르곤 충전

배송

보통

등급

ACS

순수함

≥99%

이름과 식별자

• 정식 스마일: CN(C)C1=CC=C(C=C1)C=O
• IUPAC Name: 4-(dimethylamino)benzaldehyde
• InChIKey: BGNGWHSBYQYVRX-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
• 이성체 SMILES: CN(C)C1=CC=C(C=C1)C=O
• WGK 독일: 1
• 분자량: 149.19
• Beilstein: 606802
• Reaxy-Rn: 606802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606802&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Dialkylarylamines Benzaldehydes Aniline and substituted anilines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Tertiary amine - Organic oxide - Aldehyde - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: Not available

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)

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Discover Target: CYP2A6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2A13 Tchem Cytochrome P450 2A13 (1 Activities)

Discover Target: CYP2A13

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in alcohol, ether, chloroform and acetic acid.
• 감도: Hygroscopic.Light & air sensitive.
• 발화점(°F): 327.2 °F
• 발화점(°C): 164 °C
• 녹는점(°C): 72-75°C
• 분자량: 149.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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