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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H28ClNO2
Molecular Weight 325.873
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[3-(Dibutylamino)propoxy]benzoyl chloride

SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(Cl)=O

InChI

InChIKey=VFUIMOGHUGFEBP-UHFFFAOYSA-N
InChI=1S/C18H28ClNO2/c1-3-5-12-20(13-6-4-2)14-7-15-22-17-10-8-16(9-11-17)18(19)21/h8-11H,3-7,12-15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H28ClNO2
Molecular Weight 325.873
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 Wed Apr 02 20:52:53 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:53 GMT 2025
Record UNII
SZ77W7MZ92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoyl chloride, 4-[3-(dibutylamino)propoxy]-
Preferred Name English
4-[3-(Dibutylamino)propoxy]benzoyl chloride
Systematic Name English
Code System Code Type Description
PUBCHEM
10109258
Created by admin on Wed Apr 02 20:52:53 GMT 2025 , Edited by admin on Wed Apr 02 20:52:53 GMT 2025
PRIMARY
FDA UNII
SZ77W7MZ92
Created by admin on Wed Apr 02 20:52:53 GMT 2025 , Edited by admin on Wed Apr 02 20:52:53 GMT 2025
PRIMARY
CAS
478158-85-9
Created by admin on Wed Apr 02 20:52:53 GMT 2025 , Edited by admin on Wed Apr 02 20:52:53 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT