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ScientificNameLabel
Butanal-3-methyl
PHCD compound ID : 5089
Chemical Names :
Butanal-3-methyl
Molecular Formula : C11H13Cl3N2
Molecular Weight : 278.014431
More Details :
Names & Synonyms: 2,4,6-trichloro-N-(3-methylbutylideneamino)aniline , 2,4,6-trichloro-N-(3-methylbutylideneamino)aniline , 2,4,6-tris(chloranyl)-N-(3-methylbutylideneamino)aniline , (3-methylbutylideneamino)-(2,4,6-trichlorophenyl)amine
Smiles: CC(CC=NNc1c(Cl)cc(cc1Cl)Cl)C
InChi : InChI=1S/C11H13Cl3N2/c1-7(2)3-4-15-16-11-9(13)5-8(12)6-10(11)14/h4-7,16H,3H2,1-2H3
InChi Key : InChIKey=IZCAZFDUMTUKBT-UHFFFAOYSA-N
PubChem ID : 529815
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.964833
Hydrogen bond donor count : 1 Electric dipole moment : 2.763
XLogP : 5.137 VDW volume : 232.63672
Molecular weight : 278.014431 HOMO-LUMO gap : 8.098000
Herb list :
Refrences & Litretures:
  
796.      Journal:'Journal of Food Science'      Year:'2005'      Volume:'70'      Page:'M208'      DOI:'10.1111/j.1365-2621.2005.tb07190.x'      Title:'Chemical Constituents, Antimicrobial Investigations, and Antioxidative Potentials of Anethum graveolens L. Essential Oil and Acetone Extract: Part 52'
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