Product Name: 4-Dodecylmorpholine-4-oxide (CAS NO.2530-46-3)
Molecular Formula: C16H33NO2
Molecular Weight: 271.50g/mol
Mol File: 2530-46-3.mol
XLogP3-AA: 4.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Dodecylmorpholine-4-oxide (CAS NO.2530-46-3):
IUPAC Name: 4-Dodecyl-4-oxidomorpholin-4-ium
Canonical SMILES: CCCCCCCCCCCC[N+]1(CCOCC1)[O-]
InChI: InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(18)13-15-19-16-14-17/h2-16H2,1H3
InChIKey: FHORWCGUALMRKR-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 110mg/kg (110mg/kg) | Proceedings of the European Society of Toxicology. Vol. 16, Pg. 236, 1975. | |
mouse | LD50 | intravenous | 68mg/kg (68mg/kg) | Proceedings of the European Society of Toxicology. Vol. 16, Pg. 236, 1975. | |
mouse | LD50 | oral | 1880mg/kg (1880mg/kg) | Proceedings of the European Society of Toxicology. Vol. 16, Pg. 236, 1975. |
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
4-Dodecylmorpholine-4-oxide , its CAS NO. is 2530-46-3, the synonyms are 4-Dodecylmorpholine-N-oxide ; BRN 1213405 ; N-Dodecylmorpholine N-oxide ; N-Laurylmorpholine oxide ; NSC 176708 ; Morpholine, 4-dodecyl-, 4-oxide .
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