m-Methyl red - indicator , CAS No.20691-84-3

CAS: 20691-84-3 Cat. No.: M102748 분자식: C₁₅H₁₅N₃O₂ 분자량: 269.3 Beilstein Registry Number: 16(1)165

GRADE & PURITY Indicator

Synonyms

4-Dimethylaminoazobenzene-3'-carboxylic Acid | 3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid | m-Methyl red | JAMPLPMVLCTBSB-UHFFFAOYSA-N | SCHEMBL22974899 | M-METHYLRED | DTXSID101031332 | T72058 | BS-49145 | 3-((p-(Dimethylamino)phenyl)azo)benzoic a

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4-Dimethylaminoazobenzene-3'-carboxylic Acid | 3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid | m-Methyl red | JAMPLPMVLCTBSB-UHFFFAOYSA-N | SCHEMBL22974899 | M-METHYLRED | DTXSID101031332 | T72058 | BS-49145 | 3-((p-(Dimethylamino)phenyl)azo)benzoic a

사양 및 순도

indicator

보관 조건

Room temperature

배송

Normal

등급

지표

이름과 식별자

• Pubchem Sid: 528776252
• 정식 스마일: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC(=C2)C(=O)O
• IUPAC Name: 3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
• InChIKey: JAMPLPMVLCTBSB-UHFFFAOYSA-N
• INCHI: 1S/C15H15N3O2/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(10-13)15(19)20/h3-10H,1-2H3,(H,19,20)
• 이성체 SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC(=C2)C(=O)O
• RTECS: DG8959500
• 분자량: 269.3
• Beilstein: 16(1)165
• Reaxy-Rn: 1843300
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1843300&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzoic acids Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Azo compounds Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Amino acid - Azo compound - Tertiary amine - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

화학 및 물리적 특성

• 분자량: 269.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 269.116 Da
• Monoisotopic Mass: 269.116 Da
• Topological Polar Surface Area: 65.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• 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

참고 문헌

1. Xiaohong Hu, Weiwei Jin, Haitao Zhang, Qinyu Qing, Juan Pang.  (2023)  Development of visible-light driven photo-switching copolymers with pH indicating performance.  INTERNATIONAL JOURNAL OF POLYMER ANALYSIS AND CHARACTERIZATION,      [PMID:] [10.1080/1023666X.2023.2202974]

2. Juan Pang, Xincheng Mao, Jialin Xu, Xiang Zhao, Jingyang Kong, Xiaohong Hu.  (2020)  Design, synthesis, and investigation of a visible light-driven photo-switching macromolecule.  RSC Advances,  10  (58): (35164-35173).  [PMID:35515657] [10.1039/D0RA06627C]