U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N2O5
Molecular Weight 268.2658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-TERT-BUTYL-3-METHYL-2,4-DINITROANISOLE

SMILES

COC1=C(C(C)=C(C=C1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=SUAUILGSCPYJCS-UHFFFAOYSA-N
InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3

HIDE SMILES / InChI

Molecular Formula C12H16N2O5
Molecular Weight 268.2658
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 Mon Mar 31 22:27:10 GMT 2025
Edited
by admin
on Mon Mar 31 22:27:10 GMT 2025
Record UNII
55V150W8R6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-46122
Preferred Name English
6-TERT-BUTYL-3-METHYL-2,4-DINITROANISOLE
Systematic Name English
BENZENE, 1-(1,1-DIMETHYLETHYL)-2-METHOXY-4-METHYL-3,5-DINITRO-
Systematic Name English
MUSK AMBRETTE (ARTIFICIAL)
Common Name English
NSC-59845
Code English
SYNTHETIC MUSK AMBRETTE
Common Name English
MUSK AMBRETTE [IARC]
Common Name English
ARTIFICIAL MUSK AMBRETTE
Common Name English
MUSKAMBRETTE
Common Name English
FEMA NO. 2758 (GRAS DELISTED)
Common Name English
MUSK AMBRETTE
Common Name English
Code System Code Type Description
CAS
83-66-9
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
DAILYMED
55V150W8R6
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
HSDB
7693
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
PUBCHEM
6753
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
RXCUI
2360131
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-493-7
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
NSC
59845
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID7025689
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
FDA UNII
55V150W8R6
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY
NSC
46122
Created by admin on Mon Mar 31 22:27:10 GMT 2025 , Edited by admin on Mon Mar 31 22:27:10 GMT 2025
PRIMARY