Cas no 13070-53-6 (3-Ethylamino-but-2-enoic acid ethylester)

3-Ethylamino-but-2-enoic acid ethylester structure
13070-53-6 structure
Product Name:3-Ethylamino-but-2-enoic acid ethylester
CAS No:13070-53-6
MF:C8H15NO2
MW:157.210202455521
CID:49011
PubChem ID:6392798
Update Time:2025-04-18

3-Ethylamino-but-2-enoic acid ethylester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(ethylamino)but-2-enoate
    • 3-Ethylaminobut-2-enoic acid ethyl ester
    • Ethyl 3-(ethylamino)crotonate
    • 3-Aethylamino-crotonsaeure-aethylester
    • 3-Ethylamino-but-2-enoic acid ethyl ester
    • 3-ethylamino-crotonic acid ethyl ester
    • ethyl 3-ethylamino-2-butenoate
    • Ethyl 3-ethylaminobut-2-enoate
    • ethyl (E)-3-(ethylamino)but-2-enoate
    • 13070-53-6
    • 2-Butenoic acid, 3-(ethylamino)-, ethyl ester
    • AKOS006273874
    • ethyl (2E)-3-(ethylamino)-2-butenoate
    • SCHEMBL19611510
    • ETHYL (2E)-3-(ETHYLAMINO)BUT-2-ENOATE
    • 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXY
    • 3-Ethylamino-but-2-enoic acid ethylester
    • Inchi: 1S/C8H15NO2/c1-4-9-7(3)6-8(10)11-5-2/h6,9H,4-5H2,1-3H3/b7-6+
    • InChI Key: MRDCWMLXFWVCIR-VOTSOKGWSA-N
    • SMILES: O(C(/C=C(\C)/NCC)=O)CC

Computed Properties

  • Exact Mass: 157.11000
  • Monoisotopic Mass: 157.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 152
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.3A^2
  • XLogP3: 2

Experimental Properties

  • Density: 0.945
  • Boiling Point: 227.6°Cat760mmHg
  • Flash Point: 91.5°C
  • Refractive Index: 1.446
  • PSA: 38.33000
  • LogP: 1.45370

3-Ethylamino-but-2-enoic acid ethylester Pricemore >>

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