Basic information
- CAS
118625-36-8- Standard SMILES
CCOC(=O)N(CCC#N)N=O- InChIKey
MSADLEYIIKUDHU-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Names & identifiers
- Preferred name
- 2-(N-Carbethoxy-N-nitrosamino)propionitrile
- IUPAC
- ethyl N-(2-cyanoethyl)-N-nitrosocarbamate
Names & synonyms
2-(N-Carbethoxy-N-nitrosamino)propionitrile118625-36-8DTXSID90152183Ethyl (2-cyanoethyl)(nitroso)carbamate
Database identifiers
- CAS
118625-36-8- PubChem CID
- 147262
- DTXSID
DTXSID90152183
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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