Butanal, 2-ethyl-,o...

Butanal, 2-ethyl-,oxime 5399-18-8

Butanal, 2-ethyl-,oxime 5399-18-8

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Butanal, 2-ethyl-,oxime 5399-18-8 98%

Quick Details

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

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Details:

【Name】
Butanal, 2-ethyl-,oxime
【Iupac name】
(NZ)-N-(2-ethylbutylidene)hydroxylamine
【CAS Registry number】
5399-18-8
【Synonyms】
2-Ethylbutanaloxime
2-Ethylbutyraldoxime
NSC 1109
【Molecular Formula】
C6H13NO (Products with the same molecular formula)
【Molecular Weight】
115.1735
【Inchi】
InChI=1/C6H13NO/c1-3-6(4-2)5-7-8/h5-6,8H,3-4H2,1-2H3/b7-5-
【Canonical SMILES】
CCC(CC)C=NO
【Isomers smiles】
CCC(CC)/C=N\O
Chemical and Physical Properties
【Density】
0.89g/cm3
【Boiling Point】
179.7°Cat760mmHg
【Refractive Index】
1.435
【Flash Point】
88.1°C
【Computed Properties】
Molecular Weight:115.17352 [g/mol]
Molecular Formula:C6H13NO
XLogP3-AA:1.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:115.099714
MonoIsotopic Mass:115.099714
Topological Polar Surface Area:32.6
Heavy Atom Count:8
Formal Charge:0
Complexity:66.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:13

 

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