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CAT: 0127-BUP18025-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP18025-05Size:100 mg
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CAS Number
136181-87-8
Synonyms
N-Palmitoyl dopamine
Purity
=98%
Smiles
O=C(NCCC1=CC=C(O)C(O)=C1)CCCCCCCCCCCCCCC

Chemical Information

N-Palmitoyldopamine

N-palmitoyl dopamine is a fatty amide resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of dopamine. It is present as an endogenous compound in the mammalian brain. It is a N-(fatty acyl)-dopamine, a monocarboxylic acid amide, a fatty amide and a member of catechols. It is functionally related to a hexadecanoic acid and a dopamine.

CAS Number136181-87-8
PubChem CID16759163
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]hexadecanamide
Molecular FormulaC24H41NO3
Molecular Weight391.6
XLogP6.6
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count28
Formal Charge0
Complexity375
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)25-19-18-21-16-17-22(26)23(27)20-21/h16-17,20,26-27H,2-15,18-19H2,1H3,(H,25,28)
InChIKey
TWJJFOWLTIEYFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Palmitoyldopamine
CAS: 136181-87-8
CID: 16759163
Formula: C24H41NO3
MW: 391.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.6
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass391.30864417
Monoisotopic Mass391.30864417
Topological Polar Surface Area69.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity375
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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CatalogName
GTR19201031-01PALDA

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