Ethyl 3,4-diaminobenzoate, 97% - ≥98% , CAS No.37466-90-3

CAS: 37466-90-3 Cat. No.: E138760 Formula: C₉H₁₂N₂O₂ Peso molecolare: 180.21 Numero EC: 670-460-0

GRADE & PURITY ≥98%

Synonyms

AC-30075 | SY043331 | 3,4-Diaminobenzoic acid, ethyl ester | Benzoic acid, 3,4-diamino-, ethyl ester | MFCD00179337 | DTXSID60332576 | Maybridge3_004764 | IDI1_016151 | AKOS005169874 | FT-0639377 | E0930 | ethyl 3,4-diaminobenzoate | NUJBTXFFJUGENN-UHFFFA

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

AC-30075 | SY043331 | 3,4-Diaminobenzoic acid, ethyl ester | Benzoic acid, 3,4-diamino-, ethyl ester | MFCD00179337 | DTXSID60332576 | Maybridge3_004764 | IDI1_016151 | AKOS005169874 | FT-0639377 | E0930 | ethyl 3,4-diaminobenzoate | NUJBTXFFJUGENN-UHFFFA

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504758909

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758909

Sorrisi canonici

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

IUPAC Name

ethyl 3,4-diaminobenzoate

InChIKey

NUJBTXFFJUGENN-UHFFFAOYSA-N

INCHI

1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3

Isomeri SMILES

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

Peso molecolare

180.21

Reaxy-Rn

2721238

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2721238&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: Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - 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

• Solubilità: Soluble in Methanol
• Sensibilità: Air sensitive
• Punto di fusione (°C): 112 °C
• Peso molecolare: 180.200 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.09 Da
• Monoisotopic Mass: 180.09 Da
• Topological Polar Surface Area: 78.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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

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 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.

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

The CAS Number is 37466-90-3, the molecular formula is C9H12N2O2, and the molecular weight is 180.21 g/mol. InChIKey NUJBTXFFJUGENN-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.