2-Ethyl-N, N-dihexylhexanamide

CAT: 0127-OR1058880-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1058880-02Size:250 mg

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CAS Number

146985-22-0

Purity

97%

Smiles

CCCCC(CC)C(N(CCCCCC)CCCCCC)=O

Chemical Information

2-ethyl-N,N-dihexylhexanamide

CAS Number	146985-22-0
PubChem CID	4177212
IUPAC Name	2-ethyl-N,N-dihexylhexanamide
Molecular Formula	C20H41NO
Molecular Weight	311.5
XLogP	7.2
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Heavy Atom Count	22
Formal Charge	0
Complexity	240

SMILES

CCCCCCN(CCCCCC)C(=O)C(CC)CCCC

InChI

InChI=1S/C20H41NO/c1-5-9-12-14-17-21(18-15-13-10-6-2)20(22)19(8-4)16-11-7-3/h19H,5-18H2,1-4H3

InChIKey

MXTKEKIWJNKZOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146985-22-0

CID: 4177212

Formula: C20H41NO

MW: 311.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.5
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	311.318814931
Monoisotopic Mass	311.318814931
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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