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

CAS: 619-84-1 Cat. No.: D155093 分子式: C₉H₁₁NO₂ 分子量: 165.19 Beilstein Registry Number: 386867 EC番号: 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

同義語

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)- |

仕様と純度

≥98%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 504752258
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752258
• カノニカル・スマイル: 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)
• 異性体SMILES: CN(C)C1=CC=C(C=C1)C(=O)O
• WGKドイツ: 3
• RTECS: DG8735000
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 引火点（°F）: 338°F
• 引火点（°C）: 170°
• 融点（°C）: 241-243°C
• 分子量: 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

参考文献

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]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 619-84-1, the molecular formula is C9H11NO2, and the molecular weight is 165.19 g/mol. InChIKey YDIYEOMDOWUDTJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.