Registration Dossier

Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
2-hydroxy-N,N-bis(2-hydroxyethyl)ethan-1-aminium {methyl[(9Z)-octadec-9-enoyl]amino}acetate

Molecular and structural information

Molecular formula:
C21H38NO3.C6H16NO3
Molecular weight:
502.727
SMILES notation:
O=C(CCCCCCC/C=C\CCCCCCCC)N(C)CC([O-])=O.OCC[NH+](CCO)CCO
InChl:
InChI=1S/C21H39NO3.C6H15NO3/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;8-4-1-7(2-5-9)3-6-10/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);8-10H,1-6H2/b11-10-;
Structural formula:
Chemical structure