S5 Geropon T-77

CAT: 1489-S7500-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:1489-S7500-01Size:100 g

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CAS Number

137-20-2

Chemical Information

Sodium N-methyl-N-oleoyltaurate

The CIR Expert Panel concluded that the following ingredients are safe in cosmetics in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating...Sodium Methyl Oleoyl Taurate...

CAS Number	137-20-2
PubChem CID	23664721
IUPAC Name	sodium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanesulfonate
Molecular Formula	C21H40NNaO4S
Molecular Weight	425.6
Topological Polar Surface Area	85.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	18
Heavy Atom Count	28
Formal Charge	0
Complexity	489

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10-;

InChIKey

IZWPGJFSBABFGL-GMFCBQQYSA-M

Chemical Structure

2D Structure

CAS: 137-20-2

CID: 23664721

Formula: C21H40NNaO4S

MW: 425.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	425.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	18
Exact Mass	425.25757421
Monoisotopic Mass	425.25757421
Topological Polar Surface Area	85.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	489
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	2
Compound Is Canonicalized	Yes

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S5 Geropon T-77

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