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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9N
Molecular Weight 143.1852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Methylisoquinoline

SMILES

CC1=CC2=C(C=C1)C=NC=C2

InChI

InChIKey=PPEJLOXOMBAXES-UHFFFAOYSA-N
InChI=1S/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3

HIDE SMILES / InChI

Molecular Formula C10H9N
Molecular Weight 143.1852
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 18:52:01 GMT 2025
Edited
by admin
on Tue Apr 01 18:52:01 GMT 2025
Record UNII
3ZAG75WYA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Methylisoquinoline
Systematic Name English
Isoquinoline, 6-methyl-
Preferred Name English
Code System Code Type Description
FDA UNII
3ZAG75WYA8
Created by admin on Tue Apr 01 18:52:01 GMT 2025 , Edited by admin on Tue Apr 01 18:52:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
255-794-3
Created by admin on Tue Apr 01 18:52:01 GMT 2025 , Edited by admin on Tue Apr 01 18:52:01 GMT 2025
PRIMARY
PUBCHEM
640959
Created by admin on Tue Apr 01 18:52:01 GMT 2025 , Edited by admin on Tue Apr 01 18:52:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID70195199
Created by admin on Tue Apr 01 18:52:01 GMT 2025 , Edited by admin on Tue Apr 01 18:52:01 GMT 2025
PRIMARY
CAS
42398-73-2
Created by admin on Tue Apr 01 18:52:01 GMT 2025 , Edited by admin on Tue Apr 01 18:52:01 GMT 2025
PRIMARY