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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H35O6P.C4H11N
Molecular Weight 427.5561
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYLAMMONIUM BIS(2-(HEXYLOXY)ETHYL) PHOSPHATE

SMILES

CCNCC.CCCCCCOCCOP(O)(=O)OCCOCCCCCC

InChI

InChIKey=QDSQRWVNSFBMNU-UHFFFAOYSA-N
InChI=1S/C16H35O6P.C4H11N/c1-3-5-7-9-11-19-13-15-21-23(17,18)22-16-14-20-12-10-8-6-4-2;1-3-5-4-2/h3-16H2,1-2H3,(H,17,18);5H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H35O6P
Molecular Weight 354.4193
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H11N
Molecular Weight 73.1368
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 Sat Dec 16 10:56:50 GMT 2023
Edited
by admin
on Sat Dec 16 10:56:50 GMT 2023
Record UNII
88OO96HCGG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHYLAMMONIUM BIS(2-(HEXYLOXY)ETHYL) PHOSPHATE
Systematic Name English
ETHANAMINE, N-ETHYL-, COMPD. WITH BIS(2-(HEXYLOXY)ETHYL) HYDROGEN PHOSPHATE (1:1)
Systematic Name English
ETHANOL, 2-(HEXYLOXY)-, 1,1'-(HYDROGEN PHOSPHATE), COMPD. WITH N-ETHYLETHANAMINE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
116452
Created by admin on Sat Dec 16 10:56:50 GMT 2023 , Edited by admin on Sat Dec 16 10:56:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
264-623-1
Created by admin on Sat Dec 16 10:56:50 GMT 2023 , Edited by admin on Sat Dec 16 10:56:50 GMT 2023
PRIMARY
FDA UNII
88OO96HCGG
Created by admin on Sat Dec 16 10:56:50 GMT 2023 , Edited by admin on Sat Dec 16 10:56:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID4070035
Created by admin on Sat Dec 16 10:56:50 GMT 2023 , Edited by admin on Sat Dec 16 10:56:50 GMT 2023
PRIMARY
CAS
64051-24-7
Created by admin on Sat Dec 16 10:56:50 GMT 2023 , Edited by admin on Sat Dec 16 10:56:50 GMT 2023
PRIMARY