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CAS No.: | 186534-02-1 |
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Name: | Pyrazinecarboxaldehyde, trimethyl- (9CI) |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C8H10N2O |
Molecular Weight: | 150.18 |
Synonyms: | Pyrazinecarboxaldehyde,trimethyl- (9CI);3,5,6-trimethylpyrazine-2-carbaldehyde;2-pyrazinecarboxaldehyde, 3,5,6-trimethyl-; |
Density: | 1.101 g/cm3 |
Boiling Point: | 231.756 °C at 760 mmHg |
Flash Point: | 96.785 °C |
PSA: | 42.85000 |
LogP: | 1.21430 |
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The 2-Pyrazinecarboxaldehyde,3,5,6-trimethyl-, with the CAS registry number 186534-02-1, has the systematic name of 3,5,6-trimethylpyrazine-2-carbaldehyde. It belongs to the product categories of Aldehyde and Piperidine. And the molecular formula of this chemical is C8H10N2O.
The physical properties of 2-Pyrazinecarboxaldehyde,3,5,6-trimethyl- are as following: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.499; (4)ACD/LogD (pH 7.4): 0.499; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 44.498; (8)ACD/KOC (pH 7.4): 44.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 43.663 cm3; (15)Molar Volume: 136.372 cm3; (16)Polarizability: 17.309×10-24cm3; (17)Surface Tension: 45.18 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 96.785 °C; (20)Enthalpy of Vaporization: 46.843 kJ/mol; (21)Boiling Point: 231.756 °C at 760 mmHg; (22)Vapour Pressure: 0.061 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(nc(c(n1)C)C=O)C
(2)InChI: InChI=1/C8H10N2O/c1-5-6(2)10-8(4-11)7(3)9-5/h4H,1-3H3
(3)InChIKey: HSGOLPGJARMUOX-UHFFFAOYAD