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Details

Stereochemistry MIXED
Molecular Formula C12H24N2O.C6H3Cl3O
Molecular Weight 409.778
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-BIS((DIMETHYLAMINO)METHYL)CYCLOHEXANONE COMPD. WITH 2,4,5-TRICHLOROPHENOL (1:1)

SMILES

OC1=CC(Cl)=C(Cl)C=C1Cl.CN(C)CC2CCCC(CN(C)C)C2=O

InChI

InChIKey=RCBSAJDQFAIXEY-UHFFFAOYSA-N
InChI=1S/C12H24N2O.C6H3Cl3O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4;7-3-1-5(9)6(10)2-4(3)8/h10-11H,5-9H2,1-4H3;1-2,10H

HIDE SMILES / InChI

Molecular Formula C12H24N2O
Molecular Weight 212.3318
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H3Cl3O
Molecular Weight 197.446
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:41 GMT 2023
Record UNII
JKH4JA8S4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-BIS((DIMETHYLAMINO)METHYL)CYCLOHEXANONE COMPD. WITH 2,4,5-TRICHLOROPHENOL (1:1)
Systematic Name English
CYCLOHEXANONE, 2,6-BIS((DIMETHYLAMINO)METHYL)-, COMPD. WITH 2,4,5-TRICHLOROPHENOL (1:1)
Systematic Name English
2,6-BIS((DIMETHYLAMINO)METHYL)CYCLOHEXANONE COMPD. WITH 2,4,5-TRICHLOROPHENOL
Systematic Name English
Code System Code Type Description
FDA UNII
JKH4JA8S4L
Created by admin on Sat Dec 16 09:46:41 GMT 2023 , Edited by admin on Sat Dec 16 09:46:41 GMT 2023
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CAS
53404-83-4
Created by admin on Sat Dec 16 09:46:41 GMT 2023 , Edited by admin on Sat Dec 16 09:46:41 GMT 2023
PRIMARY
PUBCHEM
13932358
Created by admin on Sat Dec 16 09:46:41 GMT 2023 , Edited by admin on Sat Dec 16 09:46:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID20895819
Created by admin on Sat Dec 16 09:46:41 GMT 2023 , Edited by admin on Sat Dec 16 09:46:41 GMT 2023
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