Basic information
- CAS
945-81-3- Standard SMILES
CCN(N=O)c1ccc([N+](=O)[O-])cc1- InChIKey
SBWNRAWQTOBKAD-UHFFFAOYSA-N- Molecular formula
- C8H9N3O3
- Average molar mass
- 195.18 g/mol
- Monoisotopic mass
- 195.06439116
Names & identifiers
- Preferred name
- N-Ethyl-N-(4-nitrophenyl)nitrous amide
- IUPAC
- N-ethyl-N-(4-nitrophenyl)nitrous amide
- English name
- Benzenamine, N-ethyl-4-nitro-N-nitroso-
- Molecular formula
- C8H9N3O3
- Molecular weight
- 195.18
Names & synonyms
945-81-3N-Ethyl-N-(4-nitrophenyl)nitrous amideDTXSID30561538RefChem:364002DTXCID60512316N-ethyl-4-nitro-N-nitrosoanilineN-Nitroso-N-ethyl-4-nitroanilineSCHEMBL10792835Aniline, N-ethyl-p-nitro-N-nitroso- (7CI, 8CI); N-Ethyl-4-nitro-N-nitrosobenzenamine (ACI); 4-Nitro-N-nitroso-N-ethylaniline; N-(p-Nitrophenyl)-N-ethylnitrosoamine; N-Nitroso-N-ethyl-4-nitroanilineBenzenamine, N-ethyl-4-nitro-N-nitroso-
Database identifiers
- CAS
945-81-3- PubChem CID
- 14548905
- DTXSID
DTXSID30561538- Nikkaji
- J1.274.619I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 119.5 · 119.5-120.0 °C
- Boiling point
- 385.4 · 385.4±34.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -6.17 · -6.17±0.50(Predicted)
Chemistry & industry
Applications
UsesN-Nitroso-N-ethyl-4-nitroaniline is a nitroso derivative of the propellant stabilizer N-Ethyl-4-nitroaniline (E678895).
Upstream & downstream products
Upstream raw materials
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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