Basic information
- CAS
56856-83-8- Standard SMILES
CC(=O)OCN(C)N=O- InChIKey
WBXQXRXMGCOVHA-UHFFFAOYSA-N- Molecular formula
- C4H8N2O3
- Average molar mass
- 132.12 g/mol
- Monoisotopic mass
- 132.05349212
Overview
RN given refers to parent cpd; structure in seventh source
Names & identifiers
- Preferred name
- Methanol, 1-(methylnitrosoamino)-, 1-acetate
- IUPAC
- [methyl(nitroso)amino]methyl acetate
- English name
- NITROSO(ACETOXYMETHYL)-METHYLAMINE
- Molecular formula
- C4H8N2O3
- Molecular weight
- 132.12
Names & synonyms
56856-83-8Methyl(acetoxymethyl)nitrosamineDmn-oacN-Nitroso(acetoxymethyl)methylamineMethanol, (methylnitrosoamino)-, acetate (ester)DTXSID50205386Methanol, 1-(methylnitrosoamino)-, 1-acetateNDMAOAcacetoxymethyl-methylnitrosaminedimethylnitrosamine-O-acetatenitrosoacetoxymethylmethylamineacetoxymethyl-methyl-nitrosamine
Show more names
annNMAMammnmamnacetoxymethylmethylnitrosamineacetoxymethyl-methyl-nitrosamin1-acetoxy-n-nitrosodimethylamine1-acetoxy-n-nitroso-dimethylaminalpha-acetoxydimethylnitrosamine
N-nitrosomethylacetoxymethylaminealpha-acetoxy-N-nitrosodimethylurea1-(N-methyl-N-nitrosamino)methylacetateRefChem:925569DTXCID50127877[methyl(nitroso)amino]methyl acetateNitroso(acetoxymethyl)methylamineAcetoxymethyl methylnitrosamine
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 244.01 °C · 244.01°C (rough estimate)
- Density
- 1.4207 · 1.4207 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- CAS DataBase Reference
- 56856 · 56856-83-8
- Toxicity
- 13 mg/kg:CAR · TDLo orl-rat: 13 mg/kg:CAR JJIND8 63,93,79
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- TDLo orl-rat: 13 mg/kg:CAR JJIND8 63,93,79
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Suppliers2 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…