N-Methoxy-N-nitrosomethanamine
Basic information
- CAS
16339-12-1- Standard SMILES
CON(C)N=O- InChIKey
JIITVWJHOYPEFL-UHFFFAOYSA-N- Molecular formula
- C2H6N2O2
- Average molar mass
- 90.08 g/mol
- Monoisotopic mass
- 90.04292744
Names & identifiers
- Preferred name
- N-Methoxy-N-nitrosomethanamine
- IUPAC
- N-methoxy-N-methylnitrous amide
- English name
- N-Nitroso-N-methyl-O-methyl-hydroxylamine
- Molecular formula
- C2H6N2O2
- Molecular weight
- 90.08
Names & synonyms
Nitrosomethoxymethylamine16339-12-1N-methoxy-N-nitrosomethanamineRefChem:854378N-methoxy-N-methylnitrous amideN-Nitroso-N-methyl-o-methyl-hydroxylamineN-NitrosomethoxymethylamineN-NitrosomethylmethoxyamineN,O-Dimethyl-N-nitrosohydroxylamineN-Methoxy-N-nitrosomethylamineMETHYLAMINE, N-METHOXY-N-NITROSO-Methanamine, N-methoxy-N-nitroso-
Show more names
RMA-717Methylmethoxynitrosamine
N-Nitroso-N-methyl-O-methylhydroxylaminN-Methoxy-N-Nitroso-MethanamineBRN 1744942N-Nitroso-N-methyl-o-methylhydroxylamin [German]N-Methoxy-N-methylnitrosamine5BLD2X59D4CHEMBL163675SCHEMBL8537052
Database identifiers
- CAS
16339-12-1- PubChem CID
- 27827
- DTXSID
DTXSID30936823- ChEMBL
CHEMBL163675- UNII
- 5BLD2X59D4
- Nikkaji
- J1.373.536K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Boiling point
- 167.26 °C · 167.26°C (rough estimate)
- Density
- 1.3348 · 1.3348 (rough estimate)
- refractive index
- 1.4462 · 1.4462 (estimate)
- pka
- -8.61 · -8.61±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryIntravenous LD50 (rat) = 130 mg/kg; [RTECS] See NITROSAMINES.
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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