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

CAS: 619-84-1 Cat. No.: D155093 Formula: C₉H₁₁NO₂ Peso molecolare: 165.19 Beilstein Registry Number: 386867 Numero 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

Sinonimi

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)- |

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

504752258

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752258

Sorrisi canonici

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)

Isomeri SMILES

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

WGK Germania

3

RTECS

DG8735000

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

Rattus norvegicus (775804 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water
• Punto di infiammabilità (°F): 338°F
• Punto di infiammabilità (°C): 170°
• Punto di fusione (°C): 241-243°C
• Peso molecolare: 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

Domande frequenti

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.