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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20ClNO2
Molecular Weight 269.767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[(2-Chloroethyl)ethylamino]benzenebutanoic acid

SMILES

CCN(CCCl)C1=CC=C(CCCC(O)=O)C=C1

InChI

InChIKey=HYPAPTLGLZWLID-UHFFFAOYSA-N
InChI=1S/C14H20ClNO2/c1-2-16(11-10-15)13-8-6-12(7-9-13)4-3-5-14(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H20ClNO2
Molecular Weight 269.767
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 20:06:09 GMT 2025
Edited
by admin
on Tue Apr 01 20:06:09 GMT 2025
Record UNII
6K739F3D6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-47539
Preferred Name English
4-[(2-Chloroethyl)ethylamino]benzenebutanoic acid
Systematic Name English
4-[4-[2-Chloroethyl(ethyl)amino]phenyl]butanoic acid
Systematic Name English
Butyric acid, 4-[p-[(2-chloroethyl)ethylamino]phenyl]-
Common Name English
Benzenebutanoic acid, 4-((2-chloroethyl)ethylamino)-
Systematic Name English
p-[N-Ethyl-N-(2-chloroethyl)amino]phenylbutyric acid
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40978815
Created by admin on Tue Apr 01 20:06:09 GMT 2025 , Edited by admin on Tue Apr 01 20:06:09 GMT 2025
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NSC
47539
Created by admin on Tue Apr 01 20:06:09 GMT 2025 , Edited by admin on Tue Apr 01 20:06:09 GMT 2025
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CAS
6296-43-1
Created by admin on Tue Apr 01 20:06:09 GMT 2025 , Edited by admin on Tue Apr 01 20:06:09 GMT 2025
PRIMARY
PUBCHEM
96008
Created by admin on Tue Apr 01 20:06:09 GMT 2025 , Edited by admin on Tue Apr 01 20:06:09 GMT 2025
PRIMARY
FDA UNII
6K739F3D6A
Created by admin on Tue Apr 01 20:06:09 GMT 2025 , Edited by admin on Tue Apr 01 20:06:09 GMT 2025
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