Basic information
- CAS
16395-80-5- Standard SMILES
CCC(=O)N(C)N=O- InChIKey
IGNJCDWJQZYOET-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Names & identifiers
- Preferred name
- Propionamide, N-methyl-N-nitroso-
- IUPAC
- N-methyl-N-nitrosopropanamide
- English name
- N-Methyl-N-nitrosopropanamide
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
N-Methyl-N-nitrosopropanamideN-Methyl-N-nitrosopropionamide16395-80-5Propionamide, N-methyl-N-nitroso-Methylnitroso-propionamideMethylnitrosopropionylamideMethyl-nitrosopropionsaeureamid [German]BRN 2074063Propionylamide, N-methyl-N-nitroso-Methyl-nitrosopropionsaeureamidDTXSID00167682RefChem:375021
Show more names
DTXCID5090173Propanamide, N-methyl-N-nitroso-9HXM69Y4VLSCHEMBL103015METHYL-N-NITROSOPROPANAMIDE, N-
Database identifiers
- CAS
16395-80-5- PubChem CID
- 85396
- DTXSID
DTXSID00167682- UNII
- 9HXM69Y4VL
- Nikkaji
- J35.363I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 217.15 °C · 217.15°C (rough estimate)
- Density
- 1.2829 · 1.2829 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- pka
- -1.87 · -1.87±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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