Cas no 178469-07-3 (Ethyl 3-amino-4-(dimethylamino)benzoate)

Ethyl 3-amino-4-(dimethylamino)benzoate is a benzoate derivative featuring both amino and dimethylamino functional groups, making it a versatile intermediate in organic synthesis. Its molecular structure lends itself to applications in pharmaceuticals, agrochemicals, and dye manufacturing. The compound exhibits favorable solubility in common organic solvents, facilitating its use in reactions requiring mild conditions. The presence of electron-donating substituents enhances its reactivity in electrophilic aromatic substitution and coupling reactions. Its stability under standard storage conditions ensures consistent performance in synthetic workflows. This compound is particularly valued for its role in constructing heterocyclic frameworks and as a precursor for advanced functional materials.
Ethyl 3-amino-4-(dimethylamino)benzoate structure
178469-07-3 structure
Product Name:Ethyl 3-amino-4-(dimethylamino)benzoate
CAS No:178469-07-3
MF:C11H16N2O2
MW:208.256942749023
CID:112897
PubChem ID:30031862
Update Time:2025-05-27

Ethyl 3-amino-4-(dimethylamino)benzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-amino-4-(dimethylamino)benzoate
    • Benzoic acid,3-amino-4-(dimethylamino)-, ethyl ester
    • Benzoic acid, 3-amino-4-(dimethylamino)-, ethyl ester (9CI)
    • Ethyl3-amino-4-(dimethylamino)benzoate
    • BB 0246404
    • AKOS000111696
    • 178469-07-3
    • 3-Amino-4-dimethylamino-benzoic acid ethyl ester
    • SB78055
    • MDL： MFCD11556389
    • Inchi： 1S/C11H16N2O2/c1-4-15-11(14)8-5-6-10(13(2)3)9(12)7-8/h5-7H,4,12H2,1-3H3
    • InChI Key： LDNOYGFOGCRYKP-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=CC(=C(C=1)N)N(C)C)=O

Computed Properties

  • Exact Mass: 208.12128
  • Monoisotopic Mass: 208.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 219
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.6A^2
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 356.1±32.0 °C at 760 mmHg
  • Flash Point: 169.2±25.1 °C
  • PSA: 55.56
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Crysdot LLC
CD12131407-5g
Ethyl 3-amino-4-(dimethylamino)benzoate
 178469-07-3 95+%
5g
 $499 2024-07-24

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