Product Name

  • Name

    5-(3,3-Dimethyl-1-triazeno)-2-methyl-1H-imidazole-4-carboxylic acid ethyl ester

  • EINECS
  • CAS No. 41459-10-3
  • Density 1.25g/cm3
  • Solubility
  • Melting Point
  • Formula C9H15N5O2
  • Boiling Point 292.9°C at 760 mmHg
  • Molecular Weight 225.29
  • Flash Point 130.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 41459-10-3 (5-(3,3-Dimethyl-1-triazeno)-2-methyl-1H-imidazole-4-carboxylic acid ethyl ester)
  • Hazard Symbols
  • Synonyms 5-(3,3-dimethyl-triaz-1-enyl)-2-methyl-1(3)H-imidazole-4-carboxylic acid ethyl ester;5-(3,3-Dimethyl-1-triazeno)-2-methyl-1H-imidazole-4-carboxylic acid ethyl ester;1-(4-Ethoxycarbonyl-2-methyl-1H-imidazol-5-yl)-3,3-dimethyltriazene;4-Carbethoxy-5-(3,3-dimethyl-triazeno)-2-methylimidazol;
  • PSA 82.94000
  • LogP 1.45510

Brl 51308 Chemical Properties

Product Name: Brl 51308 (CAS NO.41459-10-3)


Molecular Formula: C9H15N5O2
Molecular Weight: 225.29g/mol
Mol File: 41459-10-3.mol
Boiling point: 292.9 °C at 760 mmHg
Flash Point: 130.9 °C
Density: 1.25 g/cm3
Surface Tension: 41.7 dyne/cm
Enthalpy of Vaporization: 53.24 kJ/mol
Vapour Pressure: 0.00179 mmHg at 25°C
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Brl 51308 (CAS NO.41459-10-3):
  IUPAC Name: Ethyl(5Z)-5-(dimethylaminohydrazinylidene)-2-methylimidazole-4-carboxylate
  Canonical SMILES: CCOC(=O)C1=NC(=NC1=NNN(C)C)C
  Isomeric SMILES: CCOC(=O)C\1=NC(=N/C1=N\NN(C)C)C
  InChI: InChI=1S/C9H15N5O2/c1-5-16-9(15)7-8(11-6(2)10-7)12-13-14(3)4/h13H,5H2,1-4H3/b12-8- 
  InChIKey: UFELNFYEVMQQML-WQLSENKSSA-N

Brl 51308 Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 567mg/kg (567mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 721, 1978.

Brl 51308 Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.

Brl 51308 Specification

 Brl 51308 , its CAS NO. is 41459-10-3, the synonyms are 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methylimidazole ; BRN 0916035 ; 1H-Imidazole-4-carboxylic acid, 5-(3,3-dimethyl-1-triazenyl)-2-methyl-, ethyl ester ; 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methylimidazole .

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