Cas no 181427-25-8 (3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl ester, (3E)-)

3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl ester, (3E)- structure
181427-25-8 structure
Product Name:3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl ester, (3E)-
CAS No:181427-25-8
MF:C8H13NO3
MW:171.193722486496
MDL:MFCD00219095
CID:3819644
PubChem ID:5708867
Update Time:2025-04-22

3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl ester, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl ester, (3E)-
    • ethyl (E)-4-(dimethylamino)-2-oxobut-3-enoate
    • EN300-138963
    • MFCD00219095
    • CS-10180
    • 181427-25-8
    • CS-0036152
    • (E)-ethyl 4-(dimethylamino)-2-oxobut-3-enoate
    • ethyl (3E)-4-(dimethylamino)-2-oxobut-3-enoate
    • SCHEMBL1061841
    • GTCBVGDJIQFBFF-AATRIKPKSA-N
    • 692-429-0
    • A12749
    • ethyl 4-(dimethylamino)-2-oxobut-3-enoate
    • 4-Dimethylamino-2-oxobut-3-enoic acid ethyl ester
    • AKOS009157519
    • tert-butyl 3-(2-chloroacetyl)azetidine-1-carboxyla
    • SCA75114
    • 67751-14-8
    • W10742
    • ethyl (E)-4-(dimethylamino)-2-oxo-but-3-enoate
    • Ethyl 4-dimethylamino-2-oxo-3-butenoate
    • MDL： MFCD00219095
    • Inchi： 1S/C8H13NO3/c1-4-12-8(11)7(10)5-6-9(2)3/h5-6H,4H2,1-3H3/b6-5+
    • InChI Key： GTCBVGDJIQFBFF-AATRIKPKSA-N
    • SMILES： C(OCC)(=O)C(=O)/C=C/N(C)C

Computed Properties

  • Exact Mass: 171.08954328Da
  • Monoisotopic Mass: 171.08954328Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 196
  • 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
  • XLogP3: 0.7
  • Topological Polar Surface Area: 46.6?2

3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl ester, (3E)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-138963-0.05g
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Enamine
EN300-138963-10.0g
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AstaTech
W10742-0.25/G
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AstaTech
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