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Stearonitrile

CAT: 0127-OR1078580-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1078580-02Size:25 g
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CAS Number
638-65-3
Synonyms
Heptadecyl Cyanide / Octadecanenitrile
MDL Number
MFCD00001947
Purity
>92.0%
Smiles
CCCCCCCCCCCCCCCCCC#N

Chemical Information

Octadecanenitrile

Stearonitrile is a fatty nitrile obtained by formal condensation of stearic (octadecanoic) acid with ammonia. It has a role as a plant metabolite. It is functionally related to an octadecanoic acid.

CAS Number638-65-3
PubChem CID12532
IUPAC Nameoctadecanenitrile
Molecular FormulaC18H35N
Molecular Weight265.5
XLogP8
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity201
SMILES
CCCCCCCCCCCCCCCCCC#N
InChI
InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKey
RHSBIGNQEIPSCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octadecanenitrile
CAS: 638-65-3
CID: 12532
Formula: C18H35N
MW: 265.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.5
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass265.276950121
Monoisotopic Mass265.276950121
Topological Polar Surface Area23.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity201
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
HY-127052Stearonitrile

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