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Details

Stereochemistry ACHIRAL
Molecular Formula C13H21ClN3O.I
Molecular Weight 397.683
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(4-chlorophenyl)carbamoylamino]propyl-trimethylazanium,iodide

SMILES

[I-].C[N+](C)(C)CCCNC(=O)NC1=CC=C(Cl)C=C1

InChI

InChIKey=LYANJDWXHQFWMP-UHFFFAOYSA-N
InChI=1S/C13H20ClN3O.HI/c1-17(2,3)10-4-9-15-13(18)16-12-7-5-11(14)6-8-12;/h5-8H,4,9-10H2,1-3H3,(H-,15,16,18);1H

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H21ClN3O
Molecular Weight 270.778
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:36:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:28 GMT 2025
Record UNII
AHJ72JK2SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(4-chlorophenyl)carbamoylamino]propyl-trimethylazanium,iodide
Systematic Name English
NSC-196189
Preferred Name English
1-Propanaminium, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-N,N,N-trimethyl-, iodide
Systematic Name English
1-Propanaminium, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-N,N,N-trimethyl-, iodide (1:1)
Systematic Name English
AMMONIUM, (3-(3-(P-CHLOROPHENYL)-1-UREIDO)PROPYL)TRIMETHYL-, IODIDE
Common Name English
Code System Code Type Description
FDA UNII
AHJ72JK2SG
Created by admin on Tue Apr 01 19:36:28 GMT 2025 , Edited by admin on Tue Apr 01 19:36:28 GMT 2025
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NSC
196189
Created by admin on Tue Apr 01 19:36:28 GMT 2025 , Edited by admin on Tue Apr 01 19:36:28 GMT 2025
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PUBCHEM
52007
Created by admin on Tue Apr 01 19:36:28 GMT 2025 , Edited by admin on Tue Apr 01 19:36:28 GMT 2025
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EPA CompTox
DTXSID30994463
Created by admin on Tue Apr 01 19:36:28 GMT 2025 , Edited by admin on Tue Apr 01 19:36:28 GMT 2025
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CAS
73664-01-4
Created by admin on Tue Apr 01 19:36:28 GMT 2025 , Edited by admin on Tue Apr 01 19:36:28 GMT 2025
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