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9-Octadecenenitrile

CAT: 0572-TRC-O724140-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O724140-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112-91-4
Synonyms
Oleic Acid Nitrile; Oleic Nitrile; Oleoylnitrile; Oleyl Nitrile; Arneel O; (9Z)-9-Octadecenenitrile; Oleonitrile (6CI,7CI,8CI)
Hazard Statement
Causes skin irritation; UN number: UN3082; Packing Group: III
Purity
>95% (GC)
Smiles
CCCCCCCC\C=C/CCCCCCCC#N
Molecular Formula
C18 H33 N
Molecular Weight
263.4613
InChI
InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-
Additionnal Information
IUPAC name: (Z)-octadec-9-enenitrile
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(Z)-9-Octadecenenitrile

Oleonitrile is a fatty nitrile obtained by formal condensation of oleic acid with ammonia. It has a role as a plant metabolite. It is a fatty nitrile and an olefinic compound. It is functionally related to an oleic acid.

CAS Number112-91-4
PubChem CID6420241
IUPAC Name(Z)-octadec-9-enenitrile
Molecular FormulaC18H33N
Molecular Weight263.5
XLogP7.1
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity233
SMILES
CCCCCCCC/C=C\CCCCCCCC#N
InChI
InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKey
UIAMCVSNZQYIQS-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of (Z)-9-Octadecenenitrile
CAS: 112-91-4
CID: 6420241
Formula: C18H33N
MW: 263.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.5
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass263.261300057
Monoisotopic Mass263.261300057
Topological Polar Surface Area23.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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