Molecular Identity
N-Nitrosodiethylamine
N,N-diethylnitrous amide
PubChem CID: 5921
n-Nitrosodiethylamine can cause cancer according to an independent committee of scientific and health experts.
2D Structure
Properties
C4H10N2O
Molecular Formula
102.14
Molecular Weight
g/mol
102.0793
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
32.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
51
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)N=OIsomeric SMILES
SMILES: CCN(CC)N=OSynonyms(20)
N-NITROSODIETHYLAMINE55-18-5DiethylnitrosamineNDEADiethylnitrosoamineN-Ethyl-N-nitrosoethanamineN,N-DiethylnitrosoamineNitrosodiethylamineN,N-DiethylnitrosamineDiethylnitrosamideDENAEthanamine, N-ethyl-N-nitroso-Diethylamine, N-nitroso-N-Nitroso-N,N-diethylamineDiaethylnitrosamin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N-Nitrosodiethylamine
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