Registration Dossier

Reference substances

Reference substances

IUPAC name:
1-(2-carboxylatoethyl)-2-(heptadec-8-enyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium

Inventory

EC number:
267-569-7
EC name:
1-(2-carboxylatoethyl)-2-(heptadec-8-enyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium
CAS number:
67892-37-9
CAS number:
67892-37-9
Synonyms
Names:
Identifier:
common name
1H-Imidazolium,1-(2-carboxyethyl)-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-,hydroxide, inner salt; 1H-Imidazolium,1-(2-carboxyethyl)-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-, innersalt (9CI)
Identifier:
other: SMILES notation
O=C([O-])CC[N@@+]1(C(=NCC1)CCCCCCC\C=C\CCCCCCCC)CCO

Molecular and structural information

Molecular formula:
C25H46N2O3
Molecular weight:
422.649
SMILES notation:
1/C25H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,22-23-28)20-18-25(29)30/h9-10,28H,2-8,11-23H2,1H3/b10-9+
InChl:
1/C25H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,22-23-28)20-18-25(29)30/h9-10,28H,2-8,11-23H2,1H3/b10-9+
Structural formula:
Chemical structure

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