N'-Ethyl-N-nitro-N-nitrosoguanidine
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Basic information
- CAS
63885-23-4- Standard SMILES
CCN=C(N)N(N=O)[N+](=O)[O-]- InChIKey
OHDJGZUFFIQWCM-UHFFFAOYSA-N- Molecular formula
- C3H7N5O3
- Average molar mass
- 161.12 g/mol
- Monoisotopic mass
- 161.0548891
Names & identifiers
- Preferred name
- N'-Ethyl-N-nitro-N-nitrosoguanidine
- IUPAC
- 2-ethyl-1-nitro-1-nitrosoguanidine
- English name
- ETHYLNITRONITROSOGUANIDINE
- Molecular formula
- C3H7N5O3
- Molecular weight
- 161.12
Names & synonyms
63885-23-4N'-Ethyl-N-nitro-N-nitrosoguanidineN-ethyl-N-nitro-N-nitrosoguanidine6RVG88NUX2ETHYLNITRONITROSOGUANIDINEN-Ethyl-N'-nitro-N-nitroguanidineCCRIS 86513-Ethyl-1-nitro-1-nitrosoguanidineGuanidine, N'-ethyl-N-nitro-N-nitroso-UNII-6RVG88NUX2SCHEMBL3392407SCHEMBL6744089
Show more names
NNITRONNITROSONETHYLGUANIDINE1-NITRO-3-ETHYL-1-NITROSOGUANIDINE1-NITRO-1-NITROSO-3-ETHYLGUANIDINE
DTXSID3020592ethyl-N-nitro-N-nitrosoguanidineNa(2)-Ethyl-N-nitro-N-nitrosoguanidineGuanidine, N''-ethyl-N-nitro-N-nitroso-DB-319604ETHYL-N-NITRO-N-NITROSOGUANIDINE, N'-Q61718221
Database identifiers
- CAS
63885-23-4- PubChem CID
- 93349
- DTXSID
DTXSID3020592- UNII
- 6RVG88NUX2
- Nikkaji
- J156.690C
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 224.7 · 224.7±23.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 1.36 · 1.36±0.70(Predicted)
- FDA UNII
- 6 RVG88NUX2 · 6RVG88NUX2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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