1,4,5-Trimethylimidazole-2-carboxaldehyde supplier

Name
1H-Imidazole-2-carboxaldehyde,1,4,5-trimethyl-(9CI)
EINECS
CAS No. 185910-12-7
Article Data4
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₂O
Boiling Point 288.6 °C at 760 mmHg
Molecular Weight 138.17
Flash Point 128.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4,5-Trimethylimidazole-2-carboxaldehyde;
PSA 34.89000
LogP 0.84940

1,4,5-Trimethylimidazole-2-carboxaldehyde Specification

This chemical is called 1H-Imidazole-2-carboxaldehyde,1,4,5-trimethyl-, and its systematic name is 1,4,5-trimethyl-1H-imidazole-2-carbaldehyde. With the molecular formula of C₇H₁₀N₂O, its CAS registry number is 138.17. Additionally, its product category is Aminetertiary.

Other characteristics of the 1H-Imidazole-2-carboxaldehyde,1,4,5-trimethyl- can be summarised as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 45.11; (8)ACD/KOC (pH 7.4): 57.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 39.55 cm³; (15)Molar Volume: 126.7 cm³; (16)Polarizability: 15.68×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 128.3 °C; (20)Enthalpy of Vaporization: 52.78 kJ/mol; (21)Boiling Point: 288.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00232 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1c(C)nc(C=O)n1C
2.InChI: InChI=1/C7H10N2O/c1-5-6(2)9(3)7(4-10)8-5/h4H,1-3H3
3.InChIKey: RTPPLWUJHUAFLS-UHFFFAOYAM

Product Name

1H-Imidazole-2-carboxaldehyde,1,4,5-trimethyl-(9CI)

1,4,5-Trimethylimidazole-2-carboxaldehyde Specification

Related Products

Hot Products