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HExadecanenitrile

CAT: 0127-OR1048442-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1048442-02Size:250 mg
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CAS Number
629-79-8
MDL Number
MFCD01310359
Purity
95%
Smiles
CCCCCCCCCCCCCCCC#N

Chemical Information

Hexadecanenitrile

Hexadecanenitrile is a nitrile.

CAS Number629-79-8
PubChem CID69424
IUPAC Namehexadecanenitrile
Molecular FormulaC16H31N
Molecular Weight237.42
XLogP6.9
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count17
Formal Charge0
Complexity177
SMILES
CCCCCCCCCCCCCCCC#N
InChI
InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3
InChIKey
WGXGAUQEMYSVJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexadecanenitrile
CAS: 629-79-8
CID: 69424
Formula: C16H31N
MW: 237.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.42
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass237.245649993
Monoisotopic Mass237.245649993
Topological Polar Surface Area23.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-H730810-750MGHexadecanenitrile

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