1H-Imidazole-4-carboxaldehyde,1,5-dimethyl- supplier

Name
1H-Imidazole-4-carboxaldehyde, 1,5-dimethyl- (9CI)
EINECS
CAS No. 368833-95-8
Article Data2
CAS DataBase
Density 1.114 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O
Boiling Point 307.937 °C at 760 mmHg
Molecular Weight 124.142
Flash Point 140.036 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,5-Dimethyl-1H-imidazole-4-carboxaldehyde;1,5-Dimethyl-1H-imidazole-4-carbaldehyde;1,5-dimethyl-1H-imidazole-4-carbaldehyde;1H-imidazole-4-carboxaldehyde, 1,5-dimethyl-;
PSA 34.89000
LogP 0.54100

1H-Imidazole-4-carboxaldehyde,1,5-dimethyl- Specification

The 1H-Imidazole-4-carboxaldehyde,1,5-dimethyl-, with the CAS registry number 368833-95-8, has the systematic name of 1,5-dimethyl-1H-imidazole-4-carbaldehyde. It belongs to the product categories of Aldehyde and Aminetertiary. And the molecular formula of this chemical is C₆H₈N₂O.

The physical properties of 1H-Imidazole-4-carboxaldehyde,1,5-dimethyl- are as following: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 16; (6)ACD/KOC (pH 7.4): 16; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 34.89 Å²; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 35.135 cm³; (13)Molar Volume: 111.392 cm³; (14)Polarizability: 13.929×10^-24cm³; (15)Surface Tension: 37.537 dyne/cm; (16)Density: 1.114 g/cm³; (17)Flash Point: 140.036 °C; (18)Enthalpy of Vaporization: 54.857 kJ/mol; (19)Boiling Point: 307.937 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ncn(C)c1C
(2)InChI: InChI=1/C6H8N2O/c1-5-6(3-9)7-4-8(5)2/h3-4H,1-2H3
(3)InChIKey: XLDAGVUDVRGWKP-UHFFFAOYAL

Product Name

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

1H-Imidazole-4-carboxaldehyde,1,5-dimethyl- Specification

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