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2-Hexylpyridine

CAT: 0127-OR1038956-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1038956-02Size:5 g
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CAS Number
1129-69-7
MDL Number
MFCD00023552
Purity
98%
Smiles
CCCCCCC1=CC=CC=N1

Chemical Information

2-Hexylpyridine

2-hexylpyridine is a member of the class of pyridines that is pyridine carrying a hexyl substituent at position 2. It has a role as a flavouring agent.

CAS Number1129-69-7
PubChem CID70797
IUPAC Name2-hexylpyridine
Molecular FormulaC11H17N
Molecular Weight163.26
XLogP3.4
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity101
SMILES
CCCCCCC1=CC=CC=N1
InChI
InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3
InChIKey
NZLJDTKLZIMONR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexylpyridine
CAS: 1129-69-7
CID: 70797
Formula: C11H17N
MW: 163.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.26
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass163.136099547
Monoisotopic Mass163.136099547
Topological Polar Surface Area12.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity101
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

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