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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO3.ClH
Molecular Weight 273.756
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-Hydroxy-3-(isopropylamino)propoxy)benzaldehyde hydrochloride

SMILES

Cl.CC(C)NCC(O)COC1=CC=C(C=O)C=C1

InChI

InChIKey=NEQCKPQTNHQOIV-UHFFFAOYSA-N
InChI=1S/C13H19NO3.ClH/c1-10(2)14-7-12(16)9-17-13-5-3-11(8-15)4-6-13;/h3-6,8,10,12,14,16H,7,9H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C13H19NO3
Molecular Weight 237.2949
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 Wed Apr 02 17:13:32 GMT 2025
Edited
by admin
on Wed Apr 02 17:13:32 GMT 2025
Record UNII
3XZR65YH4K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzaldehyde, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, hydrochloride (1:1)
Preferred Name English
4-(2-Hydroxy-3-(isopropylamino)propoxy)benzaldehyde hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
118995230
Created by admin on Wed Apr 02 17:13:32 GMT 2025 , Edited by admin on Wed Apr 02 17:13:32 GMT 2025
PRIMARY
CAS
1956321-87-1
Created by admin on Wed Apr 02 17:13:32 GMT 2025 , Edited by admin on Wed Apr 02 17:13:32 GMT 2025
PRIMARY
FDA UNII
3XZR65YH4K
Created by admin on Wed Apr 02 17:13:32 GMT 2025 , Edited by admin on Wed Apr 02 17:13:32 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE