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CAS No.: | 13925-06-9 |
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Name: | 2-ISOBUTYL-3-METHYLPYRAZINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H14N2 |
Molecular Weight: | 150.224 |
Synonyms: | Pyrazine,2-isobutyl-3-methyl- (8CI);2-Isobutyl-3-methylpyrazine;2-Methyl-3-isobutylpyrazine; |
EINECS: | 237-693-6 |
Density: | 0.948 g/mL at 25 °C(lit.) |
Melting Point: | 74 °C |
Boiling Point: | 208.8 °C at 760 mmHg |
Flash Point: | 80.1 °C |
Appearance: | Colorless crystal |
Safety: | 24/25 |
PSA: | 25.78000 |
LogP: | 1.98350 |
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This chemical is called Pyrazine, 2-methyl-3-(2-methylpropyl)-, and its CAS registry number is 13925-06-9. With the molecular formula of C9H14N2, its molecular weight is 150.22. Additionally, its product categories are Mono- & Polyalkylpyrazines; Pyrazines; Alphabetical Listings; Flavors and Fragrances; I-L.
Other characteristics of the Pyrazine, 2-methyl-3-(2-methylpropyl)- can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.31; (6)ACD/BCF (pH 7.4): 21.32; (7)ACD/KOC (pH 5.5): 310.87; (8)ACD/KOC (pH 7.4): 310.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 46.03 cm3; (15)Molar Volume: 158.3 cm3; (16)Polarizability: 18.24×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 0.948 g/cm3; (19)Flash Point: 80.1 °C; (20)Enthalpy of Vaporization: 42.69 kJ/mol; (21)Boiling Point: 208.8 °C at 760 mmHg; (22)Vapour Pressure: 0.302 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccnc(c1C)CC(C)C
2.InChI: InChI=1/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3
3.InChIKey: ZHMIODDNZRIENW-UHFFFAOYAD