Einecs 261-402-1 structure

Einecs 261-402-1

dioctyl hydrogen phosphate;1-[3-[[(Z)-octadec-9-enyl]amino]propyl]pyrrole-2,5-dione

Also Known As: EINECS 261-402-1|Dioctyl hydrogen phosphate, compound with (Z)-1-(3-(octadec-9-enylamino)propyl)-1H-pyrrole-2,5-dione (1:1)|dioctyl hydrogen phosphate; 1-[3-[[(Z)-octadec-9-enyl]amino]propyl]pyrrole-2,5-dione|Dioctyl hydrogen phosphate, compound with (Z)-1-[3-(octadec-9-enylamino)propyl]-1H-pyrrole-2,5-dione (1:1)

CAS: 58715-13-2
Molecular Formula C41H79N2O6P
Molecular Weight 726.56757 g/mol
LogP 11.7696
Topological Polar Surface Area 105.17 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 36
Exact Mass 726.56757
Monoisotopic Mass 726.56757
Heavy Atoms 50
Complexity 841.12305

Chemical Identifiers

CAS Number 58715-13-2
SMILES CCCCCCCC/C=C\CCCCCCCCNCCCN1C(=O)C=CC1=O.CCCCCCCCOP(=O)(O)OCCCCCCCC

Product Overview

Einecs 261-402-1 (CAS 58715-13-2), with molecular formula C41H79N2O6P and molecular weight 726.56757 g/mol. IUPAC: dioctyl hydrogen phosphate;1-[3-[[(Z)-octadec-9-enyl]amino]propyl]pyrrole-2,5-dione.

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