N-Ethyl-N-(alpha-hydroperoxyethyl)nitrosamine

HCID 53147

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Basic information

CAS: 74940-25-3
Standard SMILES: CCN(N=O)C(C)OO
InChIKey: JJPVPPABJWCTFZ-UHFFFAOYSA-N
Molecular formula: C4H10N2O3
Average molar mass: 134.13 g/mol
Monoisotopic mass: 134.06914219

Names & identifiers

Preferred name: N-Ethyl-N-(alpha-hydroperoxyethyl)nitrosamine
IUPAC: N-ethyl-N-(1-hydroperoxyethyl)nitrous amide

Names & synonyms

N-Ethyl-N-(alpha-hydroperoxyethyl)nitrosamine74940-25-3R8V61J7562BRN 43713231-(Hydroperoxy)-N-nitrosodiethylamineN-Nitroso-ethyl-(alpha-hydroperoxyethyl)amineDIETHYLAMINE, 1-(HYDROPEROXY)-N-NITROSO-N-ethyl-N-(1-hydroperoxyethyl)nitrous amideUNII-R8V61J7562DTXSID90996448Hydroperoxide, 1-(ethylnitrosoamino)ethylETHANAMINE, N-ETHYL-1-HYDROPEROXY-N-NITROSO-

Show more names

Q27287981N-ETHYL-N-(.ALPHA.-HYDROPEROXYETHYL)NITROSAMINE

Database identifiers

CAS: 74940-25-3
PubChem CID: 53147
DTXSID: DTXSID90996448
UNII: R8V61J7562

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 62.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 87.9

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Compound notes

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