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2530-46-3

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Basic Information
CAS No.: 2530-46-3
Name: Morpholine, 4-dodecyl-, 4-oxide
Article Data: 3
Molecular Structure:
Molecular Structure of 2530-46-3 (Morpholine, 4-dodecyl-, 4-oxide)
Formula: C16H33 N O2
Molecular Weight: 271.50
Synonyms: 4-(n-Dodecyl)morpholine4-oxide; 4-Dodecylmorpholine-N-oxide; N-Dodecylmorpholine N-oxide; NSC 176708
Density: g/cm3
Melting Point: 83 °C
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 38.66000
LogP: 4.21090
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 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 .