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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N
Molecular Weight 117.1479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ETHYNYLANILINE

SMILES

NC1=CC=CC(=C1)C#C

InChI

InChIKey=NNKQLUVBPJEUOR-UHFFFAOYSA-N
InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2

HIDE SMILES / InChI

Molecular Formula C8H7N
Molecular Weight 117.1479
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 19:03:41 GMT 2023
Edited
by admin
on Sat Dec 16 19:03:41 GMT 2023
Record UNII
DU8GFZ5KGE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYNYLANILINE
Common Name English
BENZENAMINE, 3-ETHYNYL-
Systematic Name English
Code System Code Type Description
CAS
54060-30-9
Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023
PRIMARY
PUBCHEM
104682
Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023
PRIMARY
FDA UNII
DU8GFZ5KGE
Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID30885746
Created by admin on Sat Dec 16 19:03:41 GMT 2023 , Edited by admin on Sat Dec 16 19:03:41 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT