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NN-Dimethylhexanamide

CAT: 0127-OR1043914-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0127-OR1043914-01Size:10 g
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CAS Number
5830-30-8
Synonyms
NN-Dimethylcaproamide
Purity
97%

Chemical Information

N,N-Dimethylhexanamide
CAS Number5830-30-8
PubChem CID22084
IUPAC NameN,N-dimethylhexanamide
Molecular FormulaC8H17NO
Molecular Weight143.23
XLogP1.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
CCCCCC(=O)N(C)C
InChI
InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3
InChIKey
OAERLTPBKQBWHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethylhexanamide
CAS: 5830-30-8
CID: 22084
Formula: C8H17NO
MW: 143.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.23
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass143.131014166
Monoisotopic Mass143.131014166
Topological Polar Surface Area20.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.4
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