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N, N-Dimethyloctanamide

CAT: 0127-OR307187-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR307187-01Size:5 g
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CAS Number
1118-92-9
Synonyms
N, N-Dimethylcaprylamide, N-Octanoyldimethylamine, Octanoic acid dimethylamide
MDL Number
MFCD00043763
Purity
=95%
Smiles
CCCCCCCC(=O)N(C)C

Chemical Information

N,N-Dimethyloctanamide
CAS Number1118-92-9
PubChem CID14240
IUPAC NameN,N-dimethyloctanamide
Molecular FormulaC10H21NO
Molecular Weight171.28
XLogP3
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity121
SMILES
CCCCCCCC(=O)N(C)C
InChI
InChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3
InChIKey
VHRUBWHAOUIMDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyloctanamide
CAS: 1118-92-9
CID: 14240
Formula: C10H21NO
MW: 171.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.28
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass171.162314293
Monoisotopic Mass171.162314293
Topological Polar Surface Area20.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity121
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