ácido 4-(dimetilamino)fenilacético - ≥97% , CAS No.17078-28-3

CAS: 17078-28-3 Cat. No.: D167849 Peso molecular: 179.22 Número EC: 628-140-3

GRADE & PURITY ≥97%

Synonyms

2-[4-(dimethylamino)phenyl]acetic acid | 4-Dimethylaminophenylacetate | 2-(4-(Dimethylamino)phenyl)acetic acid;4-N,N-Dimethylaminophenylacetic acid | BCP22029 | [4-(Dimethylamino)phenyl]acetic acid | SCHEMBL202439 | MFCD00075591 | TS-02500 | 3-Methylene-6

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

2-[4-(dimethylamino)phenyl]acetic acid | 4-Dimethylaminophenylacetate | 2-(4-(Dimethylamino)phenyl)acetic acid;4-N, N-Dimethylaminophenylacetic acid | BCP22029 | [4-(Dimethylamino)phenyl]acetic acid | SCHEMBL202439 | MFCD00075591 | TS-02500 | 3-Methylene-6

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504757372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757372
• Sonrisas canónicas: CN(C)C1=CC=C(C=C1)CC(=O)O
• IUPAC Name: 2-[4-(dimethylamino)phenyl]acetic acid
• InChIKey: KQGHTOZUPICELS-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c1-11(2)9-5-3-8(4-6-9)7-10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
• Isómeros SMILES: CN(C)C1=CC=C(C=C1)CC(=O)O
• WGK Alemania: 3
• Peso molecular: 179.22
• Reaxy-Rn: 2938040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2938040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 105-108 °C
• Peso molecular: 179.220 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• 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

Referencias

1. Changsen Li, Xianxiu Li, Yang Liu, Yan Sun.  (2020)  Implications from the grafting density and ionic capacity effects on protein adsorption to poly (N,N-dimethylaminopropyl acrylamide)-grafted sepharose FF.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.bej.2020.107546]

2. Yang Tan, Mengxing Yan, Hanqi Dong, Chao Wang, Lupeng Shao, Xiao Xiao, Weixing Li, Zhe Ji, Zhe Ling.  (2025)  Biomimetic Construction of Adhesive, Self-Healing and Antifatigue Hydrogels via Galactomannan-Induced Double-Network Cross-Linking for Flexible Strain Sensors.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c03778]

3. Chunyan Liu, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2024)  Synergistic expression of ZIF-67 and amphiphilic polymer hydrogel in multi-mode liquid chromatographic separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.127827]

4. Yang Tan, Yusheng Gao, Huilin Chen, Ziyu Bi, Sheng Chen, Weixing Li, Xiao Xiao, Zhe Ling.  (2025)  Constructing galactomannan/oxidized nanotube dual-network organohydrogels with anti-freezing and adhesive capacity for strain sensor and triboelectric nanogenerator applications under extreme-environment.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:41213376] [10.1016/j.ijbiomac.2025.148912]