Basic information
- CAS
39885-14-8- Standard SMILES
COCN(C)N=O- InChIKey
CCHADYHJZUNBLT-UHFFFAOYSA-N- Molecular formula
- C3H8N2O2
- Average molar mass
- 104.11 g/mol
- Monoisotopic mass
- 104.0585775
Names & identifiers
- Preferred name
- N-methyl(methoxymethyl)nitrosamine
- IUPAC
- N-(methoxymethyl)-N-methylnitrous amide
- English name
- N-methyl(methoxymethyl)nitrosamine
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
Names & synonyms
39885-14-8N-Methyl(methoxymethyl)nitrosamine1-methoxy-N-methyl-N-nitrosomethylamineRefChem:927221Methoxymethyl-methylnitrosamineN-Nitroso-N-methoxymethylmethylamineMethyl(methoxymethyl)nitrosamineN-(methoxymethyl)-N-methylnitrous amideMethoxymethyl-methylnitrosaminDIMETHYLAMINE, 1-METHOXY-N-NITROSO-Methanamine, 1-methoxy-N-methyl-N-nitroso-Methoxymethyl-methylnitrosamin [German]
Show more names
N-Methoxymethyl-N-nitrosomethanamine
BRN 1924048CHEMBL163961SCHEMBL31171179DTXSID20960430CCHADYHJZUNBLT-UHFFFAOYSA-N1-methoxy-N-methyl-N-nitrosomethanamineNITROSAMINE,N-METHOXYMETHYL,N-METHYLMethyl (1-methyl-2-oxohydrazino)methyl ether #
Database identifiers
- CAS
39885-14-8- PubChem CID
- 38358
- DTXSID
DTXSID20960430- ChEMBL
CHEMBL163961- Nikkaji
- J53.930I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56.9
Physicochemical properties
- Boiling point
- 195.23 °C · 195.23°C (rough estimate)
- Density
- 1.2719 · 1.2719 (rough estimate)
- refractive index
- 1.461 · 1.4610 (estimate)
- pka
- -6.21 · -6.21±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…