Registration Dossier

General information

Inventory

EC number:
221-361-2
EC name:
4-(octadecylamino)-4-oxoisocrotonic acid
CAS number:
3077-27-8

No inventory information available

Reference substance information

IUPAC name:
(2Z)-3-(octadecylcarbamoyl)prop-2-enoic acid
Synonyms
Names:
2-Butenoic acid, 4-(octadecylamino)-4-oxo-, (2Z)-
2-Butenoic acid, 4-(octadecylamino)-4-oxo-, (Z)-
Identifier:
CAS number
3077-27-8
Identifier:
IUPAC name
4-(Octadecylamino)-4-oxoisocrotonic acid
4-(octadecylamino)-4-oxobut-2-enoic acid

CAS information

CAS number:
3077-27-8

Molecular and structural information

Molecular formula:
C22H41NO3
Molecular weight:
ca. 367.56
SMILES notation:
CCCCCCCCCCCCCCCCCCNC(=O)\C=C/C(O)=O
InChl:
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h18-19H,2-17,20H2,1H3,(H,23,24)(H,25,26)/b19-18-
Structural formula:
Chemical structure