Cas no 4551-59-1 (Benzeneacetic acid, a-[[[2-(diethylamino)ethyl]amino]carbonyl]-a-ethyl-, ethyl ester)

Benzeneacetic acid, a-[[[2-(diethylamino)ethyl]amino]carbonyl]-a-ethyl-, ethyl ester structure
4551-59-1 structure
Product Name:Benzeneacetic acid, a-[[[2-(diethylamino)ethyl]amino]carbonyl]-a-ethyl-, ethyl ester
CAS No:4551-59-1
MF:C19H30N2O3
MW:334.453105449677
CID:329372
PubChem ID:20683
Update Time:2025-04-19

Benzeneacetic acid, a-[[[2-(diethylamino)ethyl]amino]carbonyl]-a-ethyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-[[[2-(diethylamino)ethyl]amino]carbonyl]-a-ethyl-, ethyl ester
    • ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-phenylbutanoate
    • Benzeneacetic acid, alpha-(((2-(diethylamino)ethyl)amino)carbonyl)-alpha-ethyl-, ethyl ester
    • BRN 3992093
    • Ethyl N-(2-(diethylamino)ethyl)-2-ethyl-2-phenylmalonamate
    • Femamide
    • Fenalamida
    • Fenalamida [INN-Spanish]
    • Fenalamide
    • Fenalamide [USAN:INN]
    • Fenalamidum
    • Fenalamidum [INN-Latin]
    • Fenamide
    • N-(2-(Diethylamino)ethyl)-2-ethyl-2-phenylmalonamic acid ethyl ester
    • Phenamide
    • Phenylaethylmalonsaeure-aethylester-diaethylaminoaethyl-amid
    • 9D63492A3N
    • SCHEMBL21065399
    • Fenalamid
    • FENALAMIDE [INN]
    • 4551-59-1
    • D04138
    • Phenylaethylmalonsaeure-aethylester-diaethylaminoaethyl-amid [German]
    • Ethyl N-[2-(diethylamino)ethyl]-2-ethyl-2-phenylmalonamate
    • UNII-9D63492A3N
    • ethyl N-(2-diethylaminoethyl) 2-phenyl-2-ethylmalonamate
    • SCHEMBL24656
    • MALONAMIC ACID, N-(2-(DIETHYLAMINO)ETHYL)-2-ETHYL-2-PHENYL-, ETHYL ESTER
    • Q27272382
    • Spasmamide
    • FENALAMIDE [WHO-DD]
    • Ethyl 2-{[2-(diethylamino)ethyl]carbamoyl}-2-phenylbutanoate
    • SH 30858
    • FENALAMIDE [MART.]
    • DTXSID60863416
    • CHEMBL2106562
    • CHEBI:135421
    • EINECS 224-917-2
    • Sch 5706
    • Fenalamide (USAN)
    • Phemamide; SH 30858; Sch 5706; Spasmamide
    • RMQKPRRJSKFBRU-UHFFFAOYSA-N
    • FENALAMIDE [USAN]
    • NS00047948
    • FENALAMIDE [MI]
    • Ethyl N-(2-diethylaminoethyl)-2-phenyl-2-ethylmalonate
    • BENZENEACETIC ACID, .ALPHA.-(((2-(DIETHYLAMINO)ETHYL)AMINO)CARBONYL)-.ALPHA.-ETHYL-, ETHYL ESTER
    • Inchi： 1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)
    • InChI Key： RMQKPRRJSKFBRU-UHFFFAOYSA-N
    • SMILES： O(CC)C(C(C(NCCN(CC)CC)=O)(C1C=CC=CC=1)CC)=O

Computed Properties

  • Exact Mass: 334.225643
  • Monoisotopic Mass: 334.225643
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 11
  • Complexity: 390
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.6
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.1165 (rough estimate)
  • Melting Point: 199°C
  • Boiling Point: bp3 182-188°
  • Flash Point: 249.1°C
  • Refractive Index: 1.5600 (estimate)

Benzeneacetic acid, a-[[[2-(diethylamino)ethyl]amino]carbonyl]-a-ethyl-, ethyl ester Related Literature

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