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Erucamide

CAT: 0926-FE34785-03Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FE34785-03Size:1 Kg
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CAS Number
112-84-5
MDL Number
MFCD00882379
Smiles
CCCCCCCC/C=C\CCCCCCCCCCCC (=O) N
Molecular Formula
C22H43NO
Molecular Weight
337.58 g/mol
Controlled
No

Chemical Information

Erucamide

Erucamide is a primary fatty amide resulting from the formal condensation of the carboxy group of erucic acid with ammonia. It is commonly used as a slip additive in the plastic manufacturing industry. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a mammalian metabolite, a plant metabolite, a human metabolite and a rat metabolite. It is functionally related to an erucic acid.

CAS Number112-84-5
PubChem CID5365371
IUPAC Name(Z)-docos-13-enamide
Molecular FormulaC22H43NO
Molecular Weight337.6
XLogP8.8
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity286
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N
InChI
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
InChIKey
UAUDZVJPLUQNMU-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of Erucamide
CAS: 112-84-5
CID: 5365371
Formula: C22H43NO
MW: 337.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.6
XLogP38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count19
Exact Mass337.334464995
Monoisotopic Mass337.334464995
Topological Polar Surface Area43.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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