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Basic Information
CAS No.: 88634-80-4
Name: 2-ETHYL-4-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 88634-80-4 (2-ETHYL-4-METHYL-1H-IMIDAZOLE-5-CARBALDEHYDE)
Formula: C7H10N2O
Molecular Weight: 138.169
Synonyms: 1H-Imidazole-4-carboxaldehyde,2-ethyl-5-methyl- (9CI);2-Ethyl-4-methyl-1H-imidazole-5-carboxaldehyde;2-Ethyl-4-methyl-5-formylimidazole;2-Ethyl-4-methyl-5-imidazolecarboxaldehyde;2-Ethyl-5-formyl-4-methylimidazole;2-Ethyl-5-methyl-1H-imidazole-4-carboxaldehyde;
Density: 1.134 g/cm3
Melting Point: 104 °C
Boiling Point: 360.8 °C at 760 mmHg
Flash Point: 175.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 45.75000
LogP: 1.09300
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Specification

The 1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl-, with CAS registry number 88634-80-4, belongs to the following product category: Aldehyde. It has the systematic name of 2-ethyl-5-methyl-1H-imidazole-4-carbaldehyde. And the chemical formula of this chemical is C7H10N2O.

Physical properties of 1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl-: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.2; (8)ACD/KOC (pH 7.4): 25.06; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 39.9 cm3; (15)Molar Volume: 121.7 cm3; (16)Polarizability: 15.81×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.134 g/cm3; (19)Flash Point: 175.8 °C; (20)Enthalpy of Vaporization: 60.66 kJ/mol; (21)Boiling Point: 360.8 °C at 760 mmHg; (22)Vapour Pressure: 2.16E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Imidazole-5-carboxaldehyde,2-ethyl-4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nc(nc1C)CC
(2)InChI: InChI=1/C7H10N2O/c1-3-7-8-5(2)6(4-10)9-7/h4H,3H2,1-2H3,(H,8,9)
(3)InChIKey: RLBMKAXUSJOVJI-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H10N2O/c1-3-7-8-5(2)6(4-10)9-7/h4H,3H2,1-2H3,(H,8,9)
(5)Std. InChIKey: RLBMKAXUSJOVJI-UHFFFAOYSA-N