Cas no 5129-78-2 ([formyl(methyl)amino]methyl Benzoate)

[formyl(methyl)amino]methyl Benzoate structure
5129-78-2 structure
Product Name:[formyl(methyl)amino]methyl Benzoate
CAS No:5129-78-2
MF:C10H11NO3
MW:193.199242830276
CID:935140
PubChem ID:335947
Update Time:2025-04-19

[formyl(methyl)amino]methyl Benzoate Chemical and Physical Properties

Names and Identifiers

    • [formyl(methyl)amino]methyl Benzoate
    • AC1L7IKJ
    • Benzoyloxy-(formyl-methyl-amino)-methan
    • benzoyloxy-(formyl-methyl-amino)-methane
    • N-(Benzoyloxymethyl)-N-methylformamid
    • N-< (benzoyloxy)methyl> -N-methylformamide
    • N-Benzoxymethyl-N-methyl-formamid
    • N-Benzoyloxymethyl-N-methyl-formamid
    • N-benzoyloxymethyl-N-methylformamide
    • NSC348406
    • DTXSID00319624
    • NSC-348406
    • 5129-78-2
    • Inchi: 1S/C10H11NO3/c1-11(7-12)8-14-10(13)9-5-3-2-4-6-9/h2-7H,8H2,1H3
    • InChI Key: XHAXUZNMJLXVJO-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)CN(C=O)C

Computed Properties

  • Exact Mass: 193.07393
  • Monoisotopic Mass: 193.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 200
  • 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: 1.9
  • Topological Polar Surface Area: 46.6?2

Experimental Properties

  • Density: 1.171
  • Boiling Point: 383.5°C at 760 mmHg
  • Flash Point: 185.7°C
  • Refractive Index: 1.533
  • PSA: 46.61

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