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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H19O3P
Molecular Weight 242.2512
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYL 4-METHYLBENZYLPHOSPHONATE

SMILES

CCOP(=O)(CC1=CC=C(C)C=C1)OCC

InChI

InChIKey=QKGBKPZAXXBLJE-UHFFFAOYSA-N
InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
PHOSPHONIC ACID, P-((4-METHYLPHENYL)METHYL)-, DIETHYL ESTER
Preferred Name English
DIETHYL 4-METHYLBENZYLPHOSPHONATE
Systematic Name English
DIETHYL ((4-METHYLPHENYL)METHYL)PHOSPHONATE
Systematic Name English
1-(DIETHOXYPHOSPHORYLMETHYL)-4-METHYLBENZENE
Systematic Name English
DIETHYL (4-METHYLBENZYL)PHOSPHONATE
Systematic Name English
Code System Code Type Description
DRUG BANK
DB02138
Created by admin on Tue Apr 01 16:56:23 GMT 2025 , Edited by admin on Tue Apr 01 16:56:23 GMT 2025
PRIMARY
CAS
3762-25-2
Created by admin on Tue Apr 01 16:56:23 GMT 2025 , Edited by admin on Tue Apr 01 16:56:23 GMT 2025
PRIMARY
PUBCHEM
3050
Created by admin on Tue Apr 01 16:56:23 GMT 2025 , Edited by admin on Tue Apr 01 16:56:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-180-4
Created by admin on Tue Apr 01 16:56:23 GMT 2025 , Edited by admin on Tue Apr 01 16:56:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID30191056
Created by admin on Tue Apr 01 16:56:23 GMT 2025 , Edited by admin on Tue Apr 01 16:56:23 GMT 2025
PRIMARY
FDA UNII
KR7824QXJ2
Created by admin on Tue Apr 01 16:56:23 GMT 2025 , Edited by admin on Tue Apr 01 16:56:23 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966