Basic information
- CAS
65986-78-9- Standard SMILES
CCN(CCOC(C)=O)N=O- InChIKey
AHCPBURQVNYRRC-UHFFFAOYSA-N- Molecular formula
- C6H12N2O3
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.08479225
Names & identifiers
- Preferred name
- 2-(Ethylnitrosoamino)ethanol acetate
- IUPAC
- 2-[ethyl(nitroso)amino]ethyl acetate
- English name
- Acetic acid 2-(ethylnitrosoamino)ethyl ester
- Molecular formula
- C6H12N2O3
- Molecular weight
- 160.17
Names & synonyms
65986-78-9Ethanol, 2-(ethylnitrosoamino)-, acetate (ester)2-(Ethylnitrosoamino)ethanol acetate2-[ethyl(nitroso)amino]ethyl acetateDTXSID90216198N-Ethyl-N-(2-acetoxyethyl)nitrosamineN-Ethyl-N-(2-acetoxyethyl)nitrosoamineAcetic acid 2-(ethylnitrosoamino)ethylEthanol, 2-(ethylnitrosoamino)-, 1-acetateAcetic acid 2-(ethylnitrosoamino)ethyl ester
Database identifiers
- CAS
65986-78-9- PubChem CID
- 149288
- DTXSID
DTXSID90216198- Nikkaji
- J1.131B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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