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2-n-Propylpyridine

CAT: 0127-OR310652-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR310652-01Size:5 g
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CAS Number
622-39-9
MDL Number
MFCD00006368
Purity
98%
Smiles
CCCc1ccccn1

Chemical Information

2-Propylpyridine

2-Propylpyridine is a member of pyridines.

CAS Number622-39-9
PubChem CID69320
IUPAC Name2-propylpyridine
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP1.8
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity71
SMILES
CCCC1=CC=CC=N1
InChI
InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
InChIKey
OIALIKXMLIAOSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propylpyridine
CAS: 622-39-9
CID: 69320
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity71
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