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Name |
2-Pyrazinecarboxaldehyde,3,5,6-trimethyl- |
EINECS | N/A |
CAS No. | 186534-02-1 | Density | 1.101 g/cm3 |
PSA | 42.85000 | LogP | 1.21430 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10N2O | Boiling Point | 231.756 °C at 760 mmHg |
Molecular Weight | 150.18 | Flash Point | 96.785 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazinecarboxaldehyde,trimethyl- (9CI);3,5,6-trimethylpyrazine-2-carbaldehyde;2-pyrazinecarboxaldehyde, 3,5,6-trimethyl-; |
Article Data | 19 |
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