N-Nitrosodiethanolamine

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Systematic / IUPAC Name: 2,2'-(Nitrosoimino)diethanol

ID: Reference8496

Other Names: NDELA;
2,2-(Nitrosoimino) bisethanol;
2,2'-(Nitrosoimino)bisethanol;
2,2'-(Nitrosoimino)diethanol (N-nitrosodiethanolamine);
2,2'-Dihydroxy-N-nitrosodiethylamine ; more

Formula: C4H10N2O3

Class: Extractables/Leachables Personal Care Products/Cosmetics Textile Chemicals/Auxiliary/Dyes

Spectral Data

N-Nitrosodiethanolamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 234
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/19/2019 6:38:38 AM
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Identificators

InChI InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2
InChI Key YFCDLVPYFMHRQZ-UHFFFAOYSA-N
Canonical SMILES C(CO)N(CCO)N=O
CAS 1116547
Splash
Other Names NDELA;
2,2-(Nitrosoimino) bisethanol;
2,2'-(Nitrosoimino)bisethanol;
2,2'-(Nitrosoimino)diethanol (N-nitrosodiethanolamine);
2,2'-Dihydroxy-N-nitrosodiethylamine;
2,2'-Iminodi-N-nitrosoethanol;
2,2'-Nitrosiminodiethanol;
Bi(2-Hydroxyethyl)nitrosoamine;
Bis( β-hydroxyaethyl)nitrosamin;
Bis(β-hydroxyethyl)nitrosamine;
Di-(2-Hydroxyethyl)-nitrosamine;
Diaethanolnitrosamin;
Diethanolnitrosamine;
Diethanolnitrosoamine;
Diethylamine, 2,2'-dihydroxy-N-nitroso-;
Ethanol, 2,2'-nitrosiminodi-;
Ethanol, N-nitrosoiminodi-;
Ethanol,2,2'-(nitrosoimino)bis-;
N,N-Bis(2-hydroxyethyl)nitrous amide;
N,N-Diethanolnitrosamine;
Nitrosodiethanolamine;
Nitrosoiminodiethanol;
N-Nitrosoaminodiethanol;
N-Nitrosobis(2-hydroxyethyl)amine;
N-Nitrosodiaethanolamin;
N-Nitrosodoethanolamine;
N-Nitrosoiminodiethanol

In Other Databases

ChEMBL CHEMBL1334
KEGG C19278
ChEBI CHEBI:82357
ChemIDPlus 001116547; 1116547
ChemSpider 13587
PubChem 14223