2-Dimethylaminoethyl Benzoate - ≥97%(GC) , CAS No.2208-05-1

CAS: 2208-05-1 Cat. No.: D135366 Formula: C₁₁H₁₅NO₂ Peso molecolare: 193.25 Numero EC: 218-630-1

GRADE & PURITY ≥97%(GC)

Synonyms

2-(Dimethylamino)ethylbenzoate | Dimethylaminoethylbenzoate | 2-(Dimethylamino)ethyl benzoate | Benzoic acid, 2-(dimethylamino)ethyl ester | Benzoic Acid 2-Dimethylaminoethyl Ester

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-(Dimethylamino)ethylbenzoate | Dimethylaminoethylbenzoate | 2-(Dimethylamino)ethyl benzoate | Benzoic acid, 2-(dimethylamino)ethyl ester | Benzoic Acid 2-Dimethylaminoethyl Ester

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488185047

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185047

Sorrisi canonici

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

IUPAC Name

2-(dimethylamino)ethyl benzoate

InChIKey

KJSGODDTWRXQRH-UHFFFAOYSA-N

INCHI

1S/C11H15NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

Isomeri SMILES

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

Peso molecolare

193.25

Reaxy-Rn

1870716

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870716&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - 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 benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.5
• Punto di ebollizione (°C): 159 °C/20 mmHg
• Peso molecolare: 193.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.11 Da
• Monoisotopic Mass: 193.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• 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 ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2208-05-1, the molecular formula is C11H15NO2, and the molecular weight is 193.25 g/mol. InChIKey KJSGODDTWRXQRH-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.