Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Imidazole-2-acetonitrile |
EINECS | N/A |
CAS No. | 23184-45-4 | Density | 1.228 g/cm3 |
PSA | 52.47000 | LogP | 0.47578 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5N3 | Boiling Point | 402.4 °C at 760 mmHg |
Molecular Weight | 107.115 | Flash Point | 134.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Cyanomethylimidazole; |
Article Data | 3 |
The 1H-Imidazole-2-acetonitrile, with the CAS registry number of 23184-45-4, is also known as 1-Cyanomethylimidazole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C5H5N3 and molecular weight is 107.1133. What's more, its systematic name is 1H-Imidazol-2-ylacetonitrile.
Physical properties about the 1H-Imidazole-2-acetonitrile are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 7.02; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 52.47 Å2; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 28.24 cm3; (12)Molar Volume: 87.1 cm3; (13)Surface Tension: 63.3 dyne/cm; (14)Density: 1.228 g/cm3; (15)Flash Point: 134.1 °C; (16)Enthalpy of Vaporization: 65.36 kJ/mol; (17)Boiling Point: 402.4 °C at 760 mmHg; (18)Vapour Pressure: 1.1E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CCc1nccn1
(2) InChI: InChI=1/C5H5N3/c6-2-1-5-7-3-4-8-5/h3-4H,1H2,(H,7,8)
(3) InChIKey: BOIZRKNKILSBTB-UHFFFAOYAD