1-Nonanone,1-(4-mor...

1-Nonanone,1-(4-morpholinyl)- 5299-64-9

1-Nonanone,1-(4-morpholinyl)- 5299-64-9

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1-Nonanone,1-(4-morpholinyl)- 1-Nonanone,1-(4-morpholinyl)- 5299-64-9

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  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
1-Nonanone,1-(4-morpholinyl)-
【Iupac name】
1-morpholin-4-ylnonan-1-one
【CAS Registry number】
5299-64-9
【Synonyms】
Morpholine,4-(1-oxononyl)- (9CI)
Morpholine, 4-nonanoyl- (7CI,8CI)
4-Nonanoylmorpholine
AI 318284
NSC 3150
【Molecular Formula】
C13H25 N O2 (Products with the same molecular formula)
【Molecular Weight】
227.39
【Inchi】
InChI=1/C13H25NO2/c1-2-3-4-5-6-7-8-13(15)14-9-11-16-12-10-14/h2-12H2,1H3
【InChIKey】
NBRDJXSTGSUITP-UHFFFAOYSA-N
【Canonical SMILES】
CCCCCCCCC(=O)N1CCOCC1
【MOL File】
5299-64-9.mol
Chemical and Physical Properties
【Density】
0.965g/cm3
【Boiling Point】
357.4°Cat760mmHg
【Refractive Index】
1.466
【Flash Point】
169.9°C
【Computed Properties】
Molecular Weight:227.3431 [g/mol]
Molecular Formula:C13H25NO2
XLogP3-AA:2.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:7
Exact Mass:227.188529
MonoIsotopic Mass:227.188529
Topological Polar Surface Area:29.5
Heavy Atom Count:16
Formal Charge:0
Complexity:188
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:9.2
Conformer Sampling RMSD:0.8
CID Conformer Count:386

 

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