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2-Cyano-N-octylacetamide

CAT: 0127-OR1055547-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1055547-01Size:250 mg
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CAS Number
39581-22-1
MDL Number
MFCD00228008
Purity
97%
Smiles
O=C(NCCCCCCCC)CC#N

Chemical Information

2-cyano-N-octylacetamide
CAS Number39581-22-1
PubChem CID2305616
IUPAC Name2-cyano-N-octylacetamide
Molecular FormulaC11H20N2O
Molecular Weight196.29
XLogP2.8
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
CCCCCCCCNC(=O)CC#N
InChI
InChI=1S/C11H20N2O/c1-2-3-4-5-6-7-10-13-11(14)8-9-12/h2-8,10H2,1H3,(H,13,14)
InChIKey
LJXZSEPGWGOYCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyano-N-octylacetamide
CAS: 39581-22-1
CID: 2305616
Formula: C11H20N2O
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass196.157563266
Monoisotopic Mass196.157563266
Topological Polar Surface Area52.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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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