Cas no 18921-66-9 (L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI))

L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI) structure
18921-66-9 structure
Product Name:L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI)
CAS No:18921-66-9
MF:C24H28N6O5
MW:480.516324996948
CID:180076
PubChem ID:3080716
Update Time:2025-04-19

L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI)
    • diethyl (2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]butanedioate
    • Quinespar
    • N-[4-[[(2,4-Diamino-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid diethyl ester
    • ENDO-BICYCLO[2.2.2]OCT-5-ENE-2,3-DICARBOXYLICANHYDRIDE
    • L-Aspartic acid, N-(4-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzoyl)-, diethyl ester
    • N-(4-(((2,4-Diamino-6-quinazolinyl)methyl)amino)benzoyl)aspartic acid diethyl ester
    • DTXSID10172323
    • CHEMBL3244846
    • 18921-66-9
    • Inchi： 1S/C24H28N6O5/c1-3-34-20(31)12-19(23(33)35-4-2)28-22(32)15-6-8-16(9-7-15)27-13-14-5-10-18-17(11-14)21(25)30-24(26)29-18/h5-11,19,27H,3-4,12-13H2,1-2H3,(H,28,32)(H4,25,26,29,30)/t19-/m0/s1
    • InChI Key： MJEKRVFLXCYWPZ-IBGZPJMESA-N
    • SMILES： O(CC)C([C@H](CC(=O)OCC)NC(C1C=CC(=CC=1)NCC1C=CC2C(=C(N)N=C(N)N=2)C=1)=O)=O

Computed Properties

  • Exact Mass: 480.21200
  • Monoisotopic Mass: 480.21211801g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 12
  • Complexity: 717
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 172?2

Experimental Properties

  • PSA: 171.55000
  • LogP: 3.64730

L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI) Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI) Related Literature

18921-66-9 (L-Aspartic acid,N-[4-[[(2,4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, diethyl ester (9CI)) Related Products

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