Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
Reaction mass of methyl 2-({(E)-[4-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-ylidene]methyl}amino)benzoate and methyl 2-({(E)-[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-ylidene]methyl}amino)benzoate and methyl 2-({(Z)-[4-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-ylidene]methyl}amino)benzoate and methyl 2-({(Z)-[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-ylidene]methyl}amino)benzoate
Synonyms
Names:
Identifier:
CAS number
2059116-34-4

CAS information

CAS number:
2059116-34-4

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
2058320-48-0
Identifier:
CAS number
Identity:
2058313-66-7
Identifier:
CAS number
Identity:
2058314-23-9
Identifier:
CAS number
Identity:
2058316-47-3

Molecular and structural information

Molecular formula:
C21H29NO3
Molecular weight:
343.46
SMILES notation:
O=C(OC)c2ccccc2N\C=C1\CC=C(CCCC(C)(C)O)CC1
O=C(OC)c2ccccc2N\C=C1/CC=C(CCCC(C)(C)O)CC1
O=C(OC)c2ccccc2N\C=C1\CC(CCCC(C)(C)O)=CCC1
O=C(OC)c2ccccc2N\C=C1/CC(CCCC(C)(C)O)=CCC1
InChl:
InChI=1S/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,22,24H,6-7,11-14H2,1-3H3/b17-15-
InChI=1S/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,22,24H,6-7,11-14H2,1-3H3/b17-15+
InChI=1S/C21H29NO3/c1-21(2,24)13-7-10-16-8-6-9-17(14-16)15-22-19-12-5-4-11-18(19)20(23)25-3/h4-5,8,11-12,15,22,24H,6-7,9-10,13-14H2,1-3H3/b17-15+
InChI=1S/C21H29NO3/c1-21(2,24)13-7-10-16-8-6-9-17(14-16)15-22-19-12-5-4-11-18(19)20(23)25-3/h4-5,8,11-12,15,22,24H,6-7,9-10,13-14H2,1-3H3/b17-15-
Structural formula:
Chemical structure