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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H10N2O3
Molecular Weight 134.1338
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-NITROSODIETHANOLAMINE

SMILES

OCCN(CCO)N=O

InChI

InChIKey=YFCDLVPYFMHRQZ-UHFFFAOYSA-N
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2

HIDE SMILES / InChI
Molecular Formula C4H10N2O3
Molecular Weight 134.1338
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Mutagenicity of N-nitrosodiethanolamine in a V79-derived cell line expressing two human biotransformation enzymes.
2008 Aug 25
Patents

Patents

20070186940
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:08:58 UTC 2023
Edited
by admin
on Fri Dec 15 17:08:58 UTC 2023
Record UNII
30YI1289VY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-NITROSODIETHANOLAMINE
HSDB   MI  
Systematic Name English
TROLAMINE IMPURITY C [EP IMPURITY]
Common Name English
2,2'-NITROSIMINODIETHANOL
Common Name English
2,2'-(NITROSOIMINO)BISETHANOL
Systematic Name English
N-NITROSODIETHANOLAMINE [HSDB]
Common Name English
NCI-C55583
Code English
N-NITROSODIETHANOLAMINE [MI]
Common Name English
DI-(2-HYDROXYETHYL)NITROSAMINE
Common Name English
N-NITROSODIETHANOLAMINE [IARC]
Common Name English
DIETHANOLNITROSAMINE
Common Name English
NDELA
Common Name English
ETHANOL, 2,2'-(NITROSOIMINO)BIS-
Systematic Name English
NITROSODIETHANOLAMINE, N-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C45398
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
214-237-4
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
FDA UNII
30YI1289VY
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
HSDB
4180
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
PUBCHEM
14223
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
MESH
C014129
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
CAS
1116-54-7
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
NCI_THESAURUS
C44416
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID7021027
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY
MERCK INDEX
m7992
Created by admin on Fri Dec 15 17:08:59 UTC 2023 , Edited by admin on Fri Dec 15 17:08:59 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of TROLAMINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
NIH
NCATS
PRIVACY ACT
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