Product Name

  • Name

    2-IMIDAZOL-1-YL-ETHYLAMINE DIHYDROCHLORIDE

  • EINECS
  • CAS No. 5739-10-6
  • Article Data15
  • CAS DataBase
  • Density 1.153 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H9N3
  • Boiling Point 283.463 °C at 760 mmHg
  • Molecular Weight 111.147
  • Flash Point 125.234 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5739-10-6 (2-IMIDAZOL-1-YL-ETHYLAMINE DIHYDROCHLORIDE)
  • Hazard Symbols
  • Synonyms Imidazole,1-(2-aminoethyl)- (8CI);1-(2-Aminoethyl)imidazole;2-(1H-Imidazol-1-yl)ethanamine;2-(1H-Imidazol-1-yl)ethylamine;2-Imidazol-1-ylethylamine;Imidazole-1-ethylamine;N-(2-Aminoethyl)imidazole;
  • PSA 43.84000
  • LogP 0.54210

1H-Imidazole-1-ethanamine Specification

The 1H-Imidazole-1-ethanamine, with the CAS registry number 5739-10-6, is also known as 2-(1H-Imidazol-1-yl)ethanamine. It belongs to the product category of Imidazol & Benzimidazole. This chemical's molecular formula is C5H9N3 and molecular weight is 111.15. What's more, its IUPAC name is called 2-Imidazol-1-ylethanamine.

Physical properties about 1H-Imidazole-1-ethanamine are: (1)ACD/LogP: -0.649; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.96; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.84 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 31.96 cm3; (15)Molar Volume: 96.428 cm3; (16)Polarizability: 12.67×10-24cm3; (17)Surface Tension: 47.87 dyne/cm; (18)Density: 1.153 g/cm3; (19)Flash Point: 125.234 °C; (20)Enthalpy of Vaporization: 52.239 kJ/mol; (21)Boiling Point: 283.463 °C at 760 mmHg; (22)Vapour Pressure: 0.00300 mmHg at 25 °C.

Uses of 1H-Imidazole-1-ethanamine: it is used to produce other chemicals. For example, it can react with pentanedioic acid anhydride to get 4-(2-imidazol-1-yl-ethylcarbamoyl)-butyric acid. The reaction occurs with reagent CH2Cl2 at ambient temperature for 1 hour. The yield is 50 %.

1H-Imidazole-1-ethanamine can react with pentanedioic acid anhydride to get 4-(2-imidazol-1-yl-ethylcarbamoyl)-butyric acid.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cn(cn1)CCN
(2) InChI: InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2
(3) InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N

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