1-(Nitroso-2-propenylamino)ethanol acetate (ester)

HCID 150326

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Basic information

CAS: 91254-58-9
Standard SMILES: C=CCN(N=O)C(C)OC(C)=O
InChIKey: JCCHYBRZZQVZLU-UHFFFAOYSA-N
Molecular formula: C7H12N2O3
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.08479225

Names & identifiers

Preferred name: 1-(Nitroso-2-propenylamino)ethanol acetate (ester)
IUPAC: 1-[nitroso(prop-2-enyl)amino]ethyl acetate

Names & synonyms

91254-58-91-(Nitroso-2-propenylamino)ethanol acetate (ester)Ethanol, 1-(nitroso-2-propenylamino)-, acetate (ester)DTXSID909198741-[NITROSO(PROP-2-EN-1-YL)AMINO]ETHYL ACETATE

Database identifiers

CAS: 91254-58-9
PubChem CID: 150326
DTXSID: DTXSID90919874

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 59 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 181

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