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29460-91-1

Basic Information
CAS No.: 29460-91-1
Name: 2-BUTYL PYRAZINE
Article Data: 6
Molecular Structure:
Molecular Structure of 29460-91-1 (2-BUTYL PYRAZINE)
Formula: C8H12N2
Molecular Weight: 136.19
Synonyms: Pyrazine,butyl- (7CI,8CI,9CI);2-Butylpyrazine;Butylpyrazine;
Density: 0.961 g/cm3
Boiling Point: 197.9 °C at 760 mmHg
Flash Point: 73.5 °C
PSA: 25.78000
LogP: 1.81920
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  • Pyrazine,2-butyl-

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    29460-91-1

    Pyrazine,2-butyl-

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    29460-91-1

    2-BUTYL PYRAZINE

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  • Casno:

    29460-91-1

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    29460-91-1

    2-Butylpyrazine

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  • 2-butylpyrazine

  • Casno:

    29460-91-1

    2-butylpyrazine

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Specification

The CAS register number of Pyrazine,2-butyl- is 29460-91-1. It also can be called as Butylpyrazine and the systematic name about this chemical is 2-butylpyrazine. The molecular formula about this chemical is C8H12N2 and the molecular weight is 136.19. It belongs to the following product category which includes Pyrazines.

Physical properties about Pyrazine,2-butyl- are: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 13.15; (5)ACD/BCF (pH 7.4): 13.15; (6)ACD/KOC (pH 5.5): 220.01; (7)ACD/KOC (pH 7.4): 220.04; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 25.78 Å2; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 41.25 cm3; (13)Molar Volume: 141.7 cm3; (14)Polarizability: 16.35x10-24cm3; (15)Surface Tension: 37.9 dyne/cm; (16)Density: 0.961 g/cm3; (17)Flash Point: 73.5 °C; (18)Enthalpy of Vaporization: 41.63 kJ/mol; (19)Boiling Point: 197.9 °C at 760 mmHg; (20)Vapour Pressure: 0.522 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnc(c1)CCCC
(2)InChI: InChI=1/C8H12N2/c1-2-3-4-8-7-9-5-6-10-8/h5-7H,2-4H2,1H3
(3)InChIKey: TVAVRPSANVGCNH-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H12N2/c1-2-3-4-8-7-9-5-6-10-8/h5-7H,2-4H2,1H3
(5)Std. InChIKey: TVAVRPSANVGCNH-UHFFFAOYSA-N