Ethanone, 1-(1,2-di...

Ethanone, 1-(1,2-dimethyl-2-cyclohexen-1-yl)-,2-(2,4-dinitrophenyl)hydrazone 5440-74-4

Ethanone, 1-(1,2-dimethyl-2-cyclohexen-1-yl)-,2-(2,4-dinitrophenyl)hydrazone 5440-74-4

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Ethanone, 1-(1,2-dimethyl-2-cyclohexen-1-yl)-,2-(2,4-dinitrophenyl)hydrazone 5440-74-4 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
Ethanone, 1-(1,2-dimethyl-2-cyclohexen-1-yl)-,2-(2,4-dinitrophenyl)hydrazone
【CAS Registry number】
5440-74-4
【Synonyms】
Ethanone, 1-(1,2-dimethyl-2-cyclohexen-1-yl)-,(2,4-dinitrophenyl)hydrazone (9CI)
NSC 20734
【Molecular Formula】
C16H20 N4 O4 (Products with the same molecular formula)
【Molecular Weight】
332.3544
【Inchi】
InChI=1/C16H20N4O4/c1-11-6-4-5-9-16(11,3)12(2)17-18-14-8-7-13(19(21)22)10-15(14)20(23)24/h6-8,10,18H,4-5,9H2,1-3H3
【Canonical SMILES】
CC1=CCCCC1(C)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C
Chemical and Physical Properties
【Density】
1.29g/cm3
【Boiling Point】
457°Cat760mmHg
【Refractive Index】
1.608
【Flash Point】
230.2°C
【Computed Properties】
Molecular Weight:332.3544 [g/mol]
Molecular Formula:C16H20N4O4
XLogP3-AA:4.3
H-Bond Donor:1
H-Bond Acceptor:6
Rotatable Bond Count:3
Exact Mass:332.148455
MonoIsotopic Mass:332.148455
Topological Polar Surface Area:116
Heavy Atom Count:24
Formal Charge:0
Complexity:563
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:1
Feature 3D Anion Count:2
Feature 3D Ring Count:2
Effective Rotor Count:5.8
Conformer Sampling RMSD:0.8
CID Conformer Count:30

 

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