Ethyl 4-amino-3-ethoxybenzoate , CAS No.342044-64-8

CAS: 342044-64-8 Cat. No.: E169716 Summenformel: C₁₁H₁₅NO₃ Molekulargewicht: 209.24 EG-Nummer: 808-655-1

Synonyms

SB78539 | ethyl 4-amino-3-ethoxybenzoate | A1-17027 | NS-02316 | SCHEMBL670443 | Benzoic acid, 4-amino-3-ethoxy-, ethyl ester | AE-562/12222466 | DTXSID401257072 | MFCD01463643 | EN300-4328849 | LYTRTSUGQUYFDO-UHFFFAOYSA-N | AKOS015948576 | Oprea1_379803

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SB78539 | ethyl 4-amino-3-ethoxybenzoate | A1-17027 | NS-02316 | SCHEMBL670443 | Benzoic acid, 4-amino-3-ethoxy-, ethyl ester | AE-562/12222466 | DTXSID401257072 | MFCD01463643 | EN300-4328849 | LYTRTSUGQUYFDO-UHFFFAOYSA-N | AKOS015948576 | Oprea1_379803

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CCOC1=C(C=CC(=C1)C(=O)OCC)N

IUPAC Name

ethyl 4-amino-3-ethoxybenzoate

InChIKey

LYTRTSUGQUYFDO-UHFFFAOYSA-N

INCHI

1S/C11H15NO3/c1-3-14-10-7-8(5-6-9(10)12)11(13)15-4-2/h5-7H,3-4,12H2,1-2H3

Isomere SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC)N

Molekulargewicht

209.24

Reaxy-Rn

22294169

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22294169&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Aminobenzoic acids and derivatives Aminophenyl ethers Phenoxy compounds Benzoyl derivatives Aniline and substituted anilines Alkyl aryl ethers Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 209.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 209.105 Da
• Monoisotopic Mass: 209.105 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 208.000
• 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

Häufig gestellte Fragen

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 342044-64-8, the molecular formula is C11H15NO3, and the molecular weight is 209.24 g/mol. InChIKey LYTRTSUGQUYFDO-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.