3,6-Dibutylphthalonitrile

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Product Information

Molecular Formula
C16H20N2
Molecular Weight
240.34
IUPAC Name
3,6-dibutylbenzene-1,2-dicarbonitrile
SMILES
CCCCC1=C(C(=C(C=C1)CCCC)C#N)C#N
InChI
InChI=1S/C16H20N2/c1-3-5-7-13-9-10-14(8-6-4-2)16(12-18)15(13)11-17/h9-10H,3-8H2,1-2H3
InChI Key
BHHMTFUALHTLPY-UHFFFAOYSA-N
Purity
97%

Computed Properties

XLogP3
5.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
240.162648646
Monoisotopic Mass
240.162648646
Topological Polar Surface Area
47.6
Heavy Atom Count
18
Formal Charge
0
Complexity
296
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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