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Chemical Product CAS:53725-45-42-(diethylamino)-1-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethanone

CAS:53725-45-4
2-(diethylamino)-1-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethanone

  • CAS No:

    53725-45-4
  • Name:

    2-(diethylamino)-1-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethanone
  • Molecular Formula:

    C15H28N2O
  • Molecular Weight:

    252.3956
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2-(diethylamino)-1-(2,2,6,6-tetramethyl-3,6-d ( CASNO:53725-45-4 )

Identification and Related Records
Name:
2-(diethylamino)-1-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethanone
CAS Registry number:
53725-45-4
Synonyms:
2-(Diethylamino)-1-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)ethanone
ethanone, 2-(diethylamino)-1-(3,6-dihydro-2,2,6,6-tetramethyl-1(2H)-pyridinyl)-
Molecular Formula:
C15H28N2O
Molecular Weight:
252.3956
Inchi:
InChI=1/C15H28N2O/c1-7-16(8-2)12-13(18)17-14(3,4)10-9-11-15(17,5)6/h9-10H,7-8,11-12H2,1-6H3
Canonical SMILES:
CCN(CC)CC(=O)N1C(CC=CC1(C)C)(C)C
Chemical and Physical Properties
Density:
0.927g/cm3
Boiling Point:
334.8°C at 760 mmHg
Refractive Index:
1.472
Flash Point:
119.1°C
Computed Properties:
Molecular Weight:252.39562 [g/mol]
Molecular Formula:C15H28N2O
XLogP3-AA:2.4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:252.220164
MonoIsotopic Mass:252.220164
Topological Polar Surface Area:23.6
Heavy Atom Count:18
Formal Charge:0
Complexity:327
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:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:5.8
Conformer Sampling RMSD:0.8
CID Conformer Count:6
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