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

CAS: 100-10-7 Cat. No.: D109644 分子式: (CH₃)₂NC₆H₄CHO 分子量: 149.19 Beilstein Registry Number: 606802 EC番号: 202-819-0

GRADE & PURITY ACS, ≥99%

Synonyms

4-Dimethylaminobenzaldehyde | 4-(Dimethylamino)benzaldehyde

Storage

Argon charged

Shipped In

Normal

概要

A reagent for indole, pyrrole, and amine assay.

Specifications

同義語

4-Dimethylaminobenzaldehyde | 4-(Dimethylamino)benzaldehyde

仕様と純度

ACS, ≥99%

生化学的・生理学的メカニズム

4-(Dimethylamino)benzaldehyde is a simple aldehyde which forms colorful Schiff base adducts with amines, pyrroles and indoles, and can be used to assay proteins for residues containing these functional groups. 4-(Dimethylamino)benzaldehyde is often used f

保管条件

Argon charged

入荷

Normal

等級

ACS

純度

≥99%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CN(C)C1=CC=C(C=C1)C=O

WGKドイツ

1

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in alcohol, ether, chloroform and acetic acid.
• 感度: Hygroscopic.Light & air sensitive.
• 引火点（°F）: 327.2 °F
• 引火点（°C）: 164 °C
• 融点（°C）: 72-75°C
• 分子量: 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