Oleoylsarcosine

CAT: 0024-sc-295977BSize: 1 KgDry Ice: NoHazardous: No

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CAT#:0024-sc-295977BSize:1 Kg

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CAS Number

110-25-8

Chemical Information

Oleoyl Sarcosine

Oleoyl sarcosine is a N-acyl-amino acid.

CAS Number	110-25-8
PubChem CID	6912870
IUPAC Name	2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
Molecular Formula	C21H39NO3
Molecular Weight	353.5
XLogP	6.8
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	25
Formal Charge	0
Complexity	366

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10-

InChIKey

DIOYAVUHUXAUPX-KHPPLWFESA-N

Chemical Structure

2D Structure

CAS: 110-25-8

CID: 6912870

Formula: C21H39NO3

MW: 353.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.5
XLogP3	6.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	353.29299411
Monoisotopic Mass	353.29299411
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes