4-cyclododecyl-2,6-dimethylmorpholine

• ChemBase ID: 158273
• Molecular Formular: C18H35NO
• Molecular Mass: 281.4766
• Monoisotopic Mass: 281.27186475
• SMILES: CC1CN(CC(O1)C)C1CCCCCCCCCCC1
• Canonical SMILES: CC1OC(C)CN(C1)C1CCCCCCCCCCC1
• InChI: InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3
• InChIKey: JMXKCYUTURMERF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclododecyl-2,6-dimethylmorpholine
• IUPAC Traditional name: dodemorph
• Synonyms: 4-Cyclododecyl-2,6-dimethylmorpholine; Dodemorph; 4-环十二烷基-2,6-二甲基吗啉; 十二环吗啉

Database IDs

• CAS Number: 1593-77-7
• EC Number: 216-474-9
• MDL Number: MFCD00155442
• Beilstein Number: 511312
• PubChem SID: 162252409; 24868948
• PubChem CID: 61899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0839736
• LogD (pH = 7.4): 3.6894333
• Log P: 5.2715015
• Molar Refractivity: 86.5204 cm^3
• Polarizability: 34.671345 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F

Safety Information

• RTECS: QE0550000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Description: cis-trans mixture of isomers
• Empirical Formula (Hill Notation): C18H35NO

DETAILS

Sigma Aldrich - 45465

Legal Information
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