Docosanamide

CAT: 0127-OR1013059-04Size: 10 KgDry Ice: NoHazardous: No

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CAT#:0127-OR1013059-04Size:10 Kg

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CAS Number

3061-75-4

MDL Number

MFCD00047905

Purity

98%

Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)N

Chemical Information

Docosanamide

Docosanamide is a fatty amide.

CAS Number	3061-75-4
PubChem CID	76468
IUPAC Name	docosanamide
Molecular Formula	C22H45NO
Molecular Weight	339.6
XLogP	9
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	20
Heavy Atom Count	24
Formal Charge	0
Complexity	252

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N

InChI

InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)

InChIKey

ORAWFNKFUWGRJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3061-75-4

CID: 76468

Formula: C22H45NO

MW: 339.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.6
XLogP3	9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	20
Exact Mass	339.350115059
Monoisotopic Mass	339.350115059
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A260681-01	Docosanamide
MBS394257-01	N-(2-hydroxyethyl)-docosanamide
D55645	Docosanamide 30-40% (95% total amides)
TRC-H246430-1MG	N-[6-Hydroxy-5-(hydroxymethyl)hexyl]docosanamide
TRC-I457290-100MG	N-(2-(1H-Indol-3-yl)ethyl)docosanamide
D3524-08	C22 Dihydroceramide (N-[ (1S,2R) -2-Hydroxy-1- (hydroxymethyl) -heptadecyl]-docosanamide)
TRC-B246440-500MG	N-(6-(Bis(4-methoxyphenyl)(phenyl)methoxy)-5-(hydroxymethyl)hexyl)docosanamide
C2777-87	C22 Ceramide (N-[ (3E) -2-hydroxy-1- (hydroxymethyl) -3-heptadecenyl]-docosanamide)
MBS6120400-01	C22 Ceramide (N-[(3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-docosanamide)
MBS6014045-01	C22 Dihydroceramide (N-[(1S,2R)-2-Hydroxy-1-(hydroxymethyl)-heptadecyl]-docosanamide)