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368833-95-8

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Basic Information
CAS No.: 368833-95-8
Name: 1H-Imidazole-4-carboxaldehyde, 1,5-dimethyl- (9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 368833-95-8 (1H-Imidazole-4-carboxaldehyde, 1,5-dimethyl- (9CI))
Formula: C6H8N2O
Molecular Weight: 124.142
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-;
Density: 1.114 g/cm3
Boiling Point: 307.937 °C at 760 mmHg
Flash Point: 140.036 °C
PSA: 34.89000
LogP: 0.54100
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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