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Reference substances

Reference substances

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General information

Inventory

EC number:
274-033-6
EC name:
2-hydroxy-3-[(1-oxodocosyl)oxy]propyltrimethylammonium chloride
CAS number:
69537-38-8

No inventory information available

Reference substance information

IUPAC name:
3-(docosanoyloxy)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride

CAS information

CAS number:
69537-38-8

Molecular and structural information

Molecular formula:
C28H58NO3.Cl
Molecular weight:
492.218
SMILES notation:
[Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)C[N+](C)(C)C
InChl:
InChI=1/C28H58NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(31)32-26-27(30)25-29(2,3)4;/h27,30H,5-26H2,1-4H3;1H/q+1;/p-1
Structural formula:
Chemical structure