Cas no 1314987-27-3 (Methyl 3-(dimethylamino)-4-formamidobenzoate)

Methyl 3-(dimethylamino)-4-formamidobenzoate structure
1314987-27-3 structure
Product Name:Methyl 3-(dimethylamino)-4-formamidobenzoate
CAS No:1314987-27-3
MF:C11H14N2O3
MW:222.240462779999
CID:1025096
PubChem ID:54758757
Update Time:2025-04-20

Methyl 3-(dimethylamino)-4-formamidobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(dimethylamino)-4-formamidobenzoate
    • DTXSID40716512
    • A888439
    • CS-0208912
    • MFCD19684087
    • AKOS015888703
    • BS-20520
    • 1314987-27-3
    • Methyl3-(dimethylamino)-4-formamidobenzoate
    • Benzoic acid, 3-(dimethylamino)-4-(formylamino)-, methyl ester
    • MDL: M181127
    • Inchi: 1S/C11H14N2O3/c1-13(2)10-6-8(11(15)16-3)4-5-9(10)12-7-14/h4-7H,1-3H3,(H,12,14)
    • InChI Key: RDJBWNFNJZBHQJ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(=C(C=1)N(C)C)NC=O)=O

Computed Properties

  • Exact Mass: 222.10044231g/mol
  • Monoisotopic Mass: 222.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 256
  • 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
  • XLogP3: 1.1
  • Topological Polar Surface Area: 58.6?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 425.2±40.0 °C at 760 mmHg
  • Flash Point: 211.0±27.3 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Methyl 3-(dimethylamino)-4-formamidobenzoate Security Information

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