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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8IN
Molecular Weight 233.0496
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-IODOBENZYLAMINE

SMILES

NCC1=CC(I)=CC=C1

InChI

InChIKey=LQLOGZQVKUNBRX-UHFFFAOYSA-N
InChI=1S/C7H8IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

HIDE SMILES / InChI

Molecular Formula C7H8IN
Molecular Weight 233.0496
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 19:49:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:41 GMT 2025
Record UNII
22ZQU8JR7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-96895
Preferred Name English
3-IODOBENZYLAMINE
Systematic Name English
3-IODOBENZENEMETHANAMINE
Systematic Name English
BENZENEMETHANAMINE, 3-IODO-
Systematic Name English
Code System Code Type Description
NSC
96895
Created by admin on Tue Apr 01 19:49:41 GMT 2025 , Edited by admin on Tue Apr 01 19:49:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID80219870
Created by admin on Tue Apr 01 19:49:41 GMT 2025 , Edited by admin on Tue Apr 01 19:49:41 GMT 2025
PRIMARY
CAS
696-40-2
Created by admin on Tue Apr 01 19:49:41 GMT 2025 , Edited by admin on Tue Apr 01 19:49:41 GMT 2025
PRIMARY
PUBCHEM
97012
Created by admin on Tue Apr 01 19:49:41 GMT 2025 , Edited by admin on Tue Apr 01 19:49:41 GMT 2025
PRIMARY
FDA UNII
22ZQU8JR7C
Created by admin on Tue Apr 01 19:49:41 GMT 2025 , Edited by admin on Tue Apr 01 19:49:41 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT