4-(2-Methyl-2-propanyl)-1H-imidazole-5-carbaldehyde supplier

Name
1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI)
EINECS 202-303-5
CAS No. 714273-83-3
Article Data11
CAS DataBase
Density 1.092 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂O
Boiling Point 338.876 °C at 760 mmHg
Molecular Weight 152.196
Flash Point 162.978 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole-4-carboxaldehyde, 5-(1,1-dimethylethyl)- (9CI);
PSA 45.75000
LogP 1.51970

4-(2-Methyl-2-propanyl)-1H-imidazole-5-carbaldehyde Specification

The 4-(2-Methyl-2-propanyl)-1H-imidazole-5-carbaldehyde, with the CAS registry number 714273-83-3, is also known as 1H-Imidazole-5-carboxaldehyde, 4-(1,1-dimethylethyl)-. It belongs to the product category of Aldehyde. This chemical's molecular formula is C₈H₁₂N₂O and molecular weight is 152.19. What's more, its systematic name is 4-(2-Methyl-2-propanyl)-1H-imidazole-5-carbaldehyde.

Physical properties of 4-(2-Methyl-2-propanyl)-1H-imidazole-5-carbaldehyde are: (1)ACD/LogP: 1.889; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 15.76; (6)ACD/BCF (pH 7.4): 16.06; (7)ACD/KOC (pH 5.5): 249.06; (8)ACD/KOC (pH 7.4): 253.95; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.75 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 43.917 cm³; (15)Molar Volume: 139.333 cm³; (16)Polarizability: 17.41×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.092 g/cm³; (19)Flash Point: 162.978 °C; (20)Enthalpy of Vaporization: 58.227 kJ/mol; (21)Boiling Point: 338.876 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1ncnc1C=O
(2)Std. InChI: InChI=1S/C8H12N2O/c1-8(2,3)7-6(4-11)9-5-10-7/h4-5H,1-3H3,(H,9,10)
(3)Std. InChIKey: FSTXHTKEZGSDNN-UHFFFAOYSA-N

Product Name

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

4-(2-Methyl-2-propanyl)-1H-imidazole-5-carbaldehyde Specification

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