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Details

Stereochemistry RACEMIC
Molecular Formula C10H21NO
Molecular Weight 171.2798
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(Dimethylamino)methyl]-5-methyl-2-hexanone

SMILES

CC(C)CC(CN(C)C)C(C)=O

InChI

InChIKey=QCDJYGZCMGEQNF-UHFFFAOYSA-N
InChI=1S/C10H21NO/c1-8(2)6-10(9(3)12)7-11(4)5/h8,10H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C10H21NO
Molecular Weight 171.2798
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:31:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:31:49 GMT 2023
Record UNII
ABF5VHY44N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(Dimethylamino)methyl]-5-methyl-2-hexanone
Systematic Name English
2-Hexanone, 3-[(dimethylamino)methyl]-5-methyl-
Systematic Name English
Code System Code Type Description
CAS
91342-74-4
Created by admin on Sat Dec 16 19:31:49 GMT 2023 , Edited by admin on Sat Dec 16 19:31:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50697484
Created by admin on Sat Dec 16 19:31:49 GMT 2023 , Edited by admin on Sat Dec 16 19:31:49 GMT 2023
PRIMARY
FDA UNII
ABF5VHY44N
Created by admin on Sat Dec 16 19:31:49 GMT 2023 , Edited by admin on Sat Dec 16 19:31:49 GMT 2023
PRIMARY
PUBCHEM
53419039
Created by admin on Sat Dec 16 19:31:49 GMT 2023 , Edited by admin on Sat Dec 16 19:31:49 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT