2-Isobutyl-3-methylpyrazine supplier

Name
2-ISOBUTYL-3-METHYLPYRAZINE
EINECS 237-693-6
CAS No. 13925-06-9
Article Data8
CAS DataBase
Density 0.948 g/mL at 25 °C(lit.)
Solubility
Melting Point 74 °C
Formula C₉H₁₄N₂
Boiling Point 208.8 °C at 760 mmHg
Molecular Weight 150.224
Flash Point 80.1 °C
Transport Information
Appearance Colorless crystal
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazine,2-isobutyl-3-methyl- (8CI);2-Isobutyl-3-methylpyrazine;2-Methyl-3-isobutylpyrazine;
PSA 25.78000
LogP 1.98350

2-Isobutyl-3-methylpyrazine Specification

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

Product Name

2-ISOBUTYL-3-METHYLPYRAZINE

2-Isobutyl-3-methylpyrazine Specification

Related Products

Hot Products