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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N.ClH
Molecular Weight 153.609
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ETHYNYLANILINE HYDROCHLORIDE

SMILES

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

InChI

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

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

Molecular Formula ClH
Molecular Weight 36.461
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 15:00:14 GMT 2023
Edited
by admin
on Sat Dec 16 15:00:14 GMT 2023
Record UNII
N854PSB3VU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYNYLANILINE HYDROCHLORIDE
Common Name English
BENZENAMINE, 3-ETHYNYL-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZENAMINE, 3-ETHYNYL-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70596526
Created by admin on Sat Dec 16 15:00:14 GMT 2023 , Edited by admin on Sat Dec 16 15:00:14 GMT 2023
PRIMARY
FDA UNII
N854PSB3VU
Created by admin on Sat Dec 16 15:00:14 GMT 2023 , Edited by admin on Sat Dec 16 15:00:14 GMT 2023
PRIMARY
PUBCHEM
18925023
Created by admin on Sat Dec 16 15:00:14 GMT 2023 , Edited by admin on Sat Dec 16 15:00:14 GMT 2023
PRIMARY
CAS
207226-02-6
Created by admin on Sat Dec 16 15:00:14 GMT 2023 , Edited by admin on Sat Dec 16 15:00:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE