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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14
Molecular Weight 170.2503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6,8-TRIMETHYLAZULENE

SMILES

CC1=CC(C)=C2C=CC=C2C(C)=C1

InChI

InChIKey=RUNBRXWUHPOTOO-UHFFFAOYSA-N
InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H14
Molecular Weight 170.2503
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 Tue Apr 01 19:13:38 GMT 2025
Edited
by admin
on Tue Apr 01 19:13:38 GMT 2025
Record UNII
B2FWN4WP77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,6,8-TRIMETHYLAZULENE
Systematic Name English
NSC-79580
Preferred Name English
AZULENE, 4,6,8-TRIMETHYL-
Systematic Name English
Code System Code Type Description
NSC
79580
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-383-6
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
PUBCHEM
70333
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID40240529
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
CAS
941-81-1
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
FDA UNII
B2FWN4WP77
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY
CHEBI
87304
Created by admin on Tue Apr 01 19:13:38 GMT 2025 , Edited by admin on Tue Apr 01 19:13:38 GMT 2025
PRIMARY