Cas no 82585-94-2 (Carbamic acid,[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethylester (9CI))

Carbamic acid,[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethylester (9CI) structure
82585-94-2 structure
Product Name:Carbamic acid,[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethylester (9CI)
CAS No:82585-94-2
MF:C18H21N5O2
MW:339.391643285751
CID:728735
PubChem ID:100679
Update Time:2025-04-19

Carbamic acid,[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethylester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethylester (9CI)
    • ethyl N-[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
    • SCHEMBL13327562
    • NSC-344271
    • NSC 344271
    • Carbamic acid,5-amino-1,2-dihydro-3-(3',4'- dimethylphenyl)pyrido[3,4-b]pyrazin-7-yl,ethyl ester, ethanolate [1:1]
    • NSC344271
    • CHEMBL9668
    • 82585-94-2
    • DTXSID60231893
    • Carbamic acid, (5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
    • Ethyl (5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamate
    • Inchi： 1S/C18H21N5O2/c1-4-25-18(24)23-15-8-13-16(17(19)22-15)21-14(9-20-13)12-6-5-10(2)11(3)7-12/h5-8,20H,4,9H2,1-3H3,(H3,19,22,23,24)
    • InChI Key： PEGVPRYRLHHTNT-UHFFFAOYSA-N
    • SMILES： O(CC)C(NC1=CC2=C(C(N)=N1)N=C(C1C=CC(C)=C(C)C=1)CN2)=O

Computed Properties

  • Exact Mass: 339.17
  • Monoisotopic Mass: 339.17
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 512
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 102?2

Experimental Properties

  • Density: 1.33
  • Boiling Point: 509.7°C at 760 mmHg
  • Flash Point: 262.1°C
  • Refractive Index: 1.66

Carbamic acid,[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethylester (9CI) Related Literature

Related Categories

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