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Henicosane

CAT: 1596-AR-H01072-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H01072-03Size:50 Units
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CAS Number
629-94-7
Synonyms
Henicosane; n-Heneicosane; Henicosane
Molecular Formula
C21H44
Molecular Weight
296.58
API Name
Henicosane

Chemical Information

Heneicosane

Henicosane is an alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius. It has a role as a pheromone, a volatile oil component and a plant metabolite.

CAS Number629-94-7
PubChem CID12403
IUPAC Namehenicosane
Molecular FormulaC21H44
Molecular Weight296.6
XLogP11
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count18
Heavy Atom Count21
Formal Charge0
Complexity143
SMILES
CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKey
FNAZRRHPUDJQCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heneicosane
CAS: 629-94-7
CID: 12403
Formula: C21H44
MW: 296.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.6
XLogP311
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count18
Exact Mass296.344301404
Monoisotopic Mass296.344301404
Topological Polar Surface Area0 Ų
Heavy Atom Count21
Formal Charge0
Complexity143
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
RG-E141654-01Henicosane
OR1062730-0110- (Bromomethyl) henicosane
OR1065362-0111- (Bromomethyl) henicosane

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