4-Dimethylaminobenzoic Acid - ≥98%(HPLC) , CAS No.619-84-1

CAS: 619-84-1 Cat. No.: D155093 Peso molecular: 165.19 Beilstein Registry Number: 386867 Número EC: 210-615-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

N,N-Dimethyl-4-aminobenzoic acid | 4-(Dimethylamino)benzoic acid, 98% | acs.jmedchem.1c00409_ST.255 | FT-0618360 | EN300-20122 | 4-(N,N-Dimethylamino) benzoic acid | Q27097934 | p-(Dimethylamino)benzoic acid | PD004568 | Benzoic acid, p-(dimethylamino)- |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N, N-Dimethyl-4-aminobenzoic acid | 4-(Dimethylamino)benzoic acid, 98% | acs.jmedchem.1c00409_ST.255 | FT-0618360 | EN300-20122 | 4-(N, N-Dimethylamino) benzoic acid | Q27097934 | p-(Dimethylamino)benzoic acid | PD004568 | Benzoic acid, p-(dimethylamino)- |

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504752258
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752258
• Sonrisas canónicas: CN(C)C1=CC=C(C=C1)C(=O)O
• IUPAC Name: 4-(dimethylamino)benzoic acid
• InChIKey: YDIYEOMDOWUDTJ-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
• Isómeros SMILES: CN(C)C1=CC=C(C=C1)C(=O)O
• WGK Alemania: 3
• RTECS: DG8735000
• Peso molecular: 165.19
• Beilstein: 386867
• Reaxy-Rn: 386867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: Benzoic acids Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• 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

Objetivos asociados (humanos)

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water
• Punto de inflamación (°F): 338°F
• Punto de inflamación (°C): 170°
• Punto de fusión (°C): 241-243°C
• Peso molecular: 165.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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. Yong Zeng, Xingfu Chen, Lijun Sun, Haihua Yao, Jimin Chen.  (2022)  Effect of different sintering additives type on Vat photopolymerization 3D printing of Al2O3 ceramics.  Journal of Manufacturing Processes,      [PMID:] [10.1016/j.jmapro.2022.09.022]

2. Yujie Qi, Xueqin Zhang, Xing Huang, Yuxi Zhang, Mengquan Shi, Yuxia Zhao.  (2022)  High-efficient lignin-based polymerizable macromolecular photoinitiator with UV-blocking property for visible light polymerization.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:35124021] [10.1016/j.ijbiomac.2022.01.199]

3. Zheng Liu, Jun-Jie Fang, Zhi-Yi Wang, Yun-Peng Xie, Xing Lu.  (2025)  Modulation of Optical and Electrochemical Properties of Cu(I) Alkynyl Clusters by Carboxylic Acid Ligands.  CHEMISTRY-A EUROPEAN JOURNAL,      [PMID:40128117] [10.1002/chem.202500230]