Cas no 21860-85-5 (Aspartic acid, 1-ethylester)

Aspartic acid, 1-ethylester structure
Aspartic acid, 1-ethylester structure
Product Name:Aspartic acid, 1-ethylester
CAS No:21860-85-5
MF:C6H11NO4
MW:161.155842065811
CID:275788
PubChem ID:274180
Update Time:2025-04-19

Aspartic acid, 1-ethylester Chemical and Physical Properties

Names and Identifiers

    • Aspartic acid, 1-ethylester
    • 3-amino-4-ethoxy-4-oxobutanoic acid
    • 3-amino-4-ethoxy-4-oxobutanoic acid(non-preferred name)
    • AC1L6U48
    • AC1Q5VC2
    • AR-1F1795
    • aspartic acid ethyl ester
    • DL-Asparaginsaeure-1-aethylester
    • dl-aspartic acid-1-ethyl ester
    • NSC120026
    • WXFCDLWCQIARFW-UHFFFAOYSA-N
    • 33409-66-4
    • dl-aspartic acid 1-ethylester
    • SCHEMBL1074665
    • DTXSID20298003
    • NSC-120026
    • AKOS006295517
    • 21860-85-5
    • .alpha.-Ethyl aspartate
    • H-Asp-OEt
    • Ethyl Aspartate
    • 3-Amino-4-ethoxy-4-oxobutanoic acid #
    • Inchi: 1S/C6H11NO4/c1-2-11-6(10)4(7)3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)
    • InChI Key: WXFCDLWCQIARFW-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(CC(=O)O)N)=O

Computed Properties

  • Exact Mass: 161.06883
  • Monoisotopic Mass: 161.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 157
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.2
  • Topological Polar Surface Area: 89.6?2

Experimental Properties

  • PSA: 89.62
  • LogP: 0.05180
Recommended suppliers
煙臺(tái)朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司