acido 3-Dimetilaminobenzoico - ≥98% , CAS No.99-64-9

CAS: 99-64-9 Cat. No.: D154628 Formula: C₉H₁₁NO₂ Peso molecolare: 165.19 Beilstein Registry Number: 14392 Numero EC: 202-775-2

GRADE & PURITY ≥98%

Synonyms

3-(Dimethylamino)benzoic acid, >=97% (HPLC) | AC-2474 | 3-N,N-Dimethylaminobenzoic acid | M47AQ3FS7E | EN300-20121 | m-DIMETHYLAMINOBENZOIC ACID | N,N-Dimethyl-m-aminobenzoic acid | Z104476962 | Benzoic acid, 3-(dimethylamino)- | F0001-2337 | 3-(Dimethyla

Storage

Room temperature

Shipped In

Normale

Panoramica

l'acido 3-(dimetilamino)benzoico è stato utilizzato per analizzare il contenuto di glucosio dall'estrazione di amido e zuccheri solubili.

Specifications

Sinonimi

3-(Dimethylamino)benzoic acid, >=97% (HPLC) | AC-2474 | 3-N,N-Dimethylaminobenzoic acid | M47AQ3FS7E | EN300-20121 | m-DIMETHYLAMINOBENZOIC ACID | N,N-Dimethyl-m-aminobenzoic acid | Z104476962 | Benzoic acid, 3-(dimethylamino)- | F0001-2337 | 3-(Dimethyla

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488183864

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183864

Sorrisi canonici

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

IUPAC Name

3-(dimethylamino)benzoic acid

InChIKey

NEGFNJRAUMCZMY-UHFFFAOYSA-N

INCHI

1S/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

Isomeri SMILES

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

Peso molecolare

165.19

Beilstein

14392

Reaxy-Rn

2208586

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208586&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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol (50 mg/ml). Insoluble in water.
• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 148-153°C
• Peso molecolare: 165.190 g/mol
• XLogP3: 1.600
• 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: 168.000
• 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?

This product is supplied at ≥98% purity (chemical assay). 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 99-64-9, the molecular formula is C9H11NO2, and the molecular weight is 165.19 g/mol. InChIKey NEGFNJRAUMCZMY-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.