Cas no 83-39-6 (Imidazole-4,5-dicarboxamide)

Imidazole-4,5-dicarboxamide structure
Imidazole-4,5-dicarboxamide structure
Product Name:Imidazole-4,5-dicarboxamide
CAS No:83-39-6
MF:C5H6N4O2
MW:154.12673997879
MDL:MFCD00047022
CID:725459
PubChem ID:87571788
Update Time:2024-10-27

Imidazole-4,5-dicarboxamide Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-4,5-dicarboxamide
    • Imidazole-4,5-dicarboxamide
    • Glycarbylamide Standard
    • 1H-Imidazol-4,5-dicarbamid
    • 1H-imidazole-4,5-dicarboxylic acid diamide
    • 4,5-Imidazoledicarboxamide
    • Glycamide
    • Glycarbylamide
    • Imidazol-4,5-dicarbonsaeure-diamid
    • Glycalbylamide
    • NNWAARLSYSBVPB-UHFFFAOYSA-N
    • 1H-Imidazole-4,5-dicarboxamide #
    • FCH1117203
    • I0435
    • R1782
    • ST45021364
    • 1H-Imidazole-4,5-dicarboxamide; 4N,5N-Di-Me
    • Glycarbylamide, PESTANAL(R), analytica
    • Imidazole-4,5-dicarboxamide (6CI, 7CI, 8CI)
    • Glycamide 12
    • DTXSID20232109
    • AI3-52513
    • MFCD00047022
    • SCHEMBL343999
    • DTXCID70154600
    • D91151
    • AKOS015854522
    • AS-61400
    • Glycarbylamide, PESTANAL(R), analytical standard
    • ALBB-025911
    • 83-39-6
    • DB-230534
    • CHEMBL498980
    • CS-0149985
    • MDL： MFCD00047022
    • Inchi： 1S/C5H6N4O2/c6-4(10)2-3(5(7)11)9-1-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
    • InChI Key： NNWAARLSYSBVPB-UHFFFAOYSA-N
    • SMILES： O=C(C1=C(C(N)=O)NC=N1)N

Computed Properties

  • Exact Mass: 154.04900
  • Monoisotopic Mass: 154.049
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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: -2.1
  • Topological Polar Surface Area: 115
  • Surface Charge: 0
  • Tautomer Count: 10

Experimental Properties

  • Color/Form: Uncertain.
  • Density: 1.566
  • Boiling Point: 689.6°C at 760 mmHg
  • Flash Point: 370.9°C
  • Refractive Index: 1.667
  • PSA: 114.86000
  • LogP: 0.00810
  • Solubility: Uncertain
  • Vapor Pressure: 0.0±2.2 mmHg at 25°C

Imidazole-4,5-dicarboxamide Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H319
  • Warning Statement： P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： Xi
  • Storage Condition：0-6°C
  • Risk Phrases：R36/37/38

Imidazole-4,5-dicarboxamide Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Imidazole-4,5-dicarboxamide Pricemore >>

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Imidazole-4,5-dicarboxamide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ;  rt
1.2 Solvents: Water ;  rt → reflux; 15 min, reflux; overnight, reflux → rt
1.3 Reagents: Acetic acid ;  neutralized, rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
A Green One-Pot Synthesis of vic-Amidino (Hetero)aromatic Acids from 1,2-Dinitriles
Tkachuk, Volodymyr A.; et al, Synlett, 2017, 28(7), 851-857

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
A Green One-Pot Synthesis of vic-Amidino (Hetero)aromatic Acids from 1,2-Dinitriles
Tkachuk, Volodymyr A.; et al, Synlett, 2017, 28(7), 851-857

Production Method 3

Reaction Conditions
1.1 Solvents: Methanol ;  rt
1.2 Solvents: Water ;  rt → reflux; 15 min, reflux; overnight, reflux → rt
1.3 Reagents: Acetic acid ;  neutralized, rt
2.1 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
A Green One-Pot Synthesis of vic-Amidino (Hetero)aromatic Acids from 1,2-Dinitriles
Tkachuk, Volodymyr A.; et al, Synlett, 2017, 28(7), 851-857

Production Method 4

Reaction Conditions
Reference
Product class 3: imidazoles
Grimmett, M. R., Science of Synthesis, 2002, 12, 325-528

Imidazole-4,5-dicarboxamide Raw materials

Imidazole-4,5-dicarboxamide Preparation Products

Imidazole-4,5-dicarboxamide Related Literature

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