Acetic acid, methylnitrosaminomethyl-d3 ester
Basic information
- CAS
67557-57-7- Standard SMILES
[2H]C([2H])([2H])N(COC(C)=O)N=O- InChIKey
WBXQXRXMGCOVHA-BMSJAHLVSA-N- Molecular formula
- C4H8N2O3
- Average molar mass
- 135.14 g/mol
- Monoisotopic mass
- 135.07232236
Names & identifiers
- Preferred name
- Acetic acid, methylnitrosaminomethyl-d3 ester
- IUPAC
- [nitroso(trideuteriomethyl)amino]methyl acetate
Names & synonyms
AcetoxymethyltrideuteromethylnitrosamineTrideuteromethyl acetoxymethylnitrosamineBRN 5255090ACETIC ACID, METHYLNITROSAMINOMETHYL-d3 ESTERNitroso-N-(1-acetoxymethyl)trideuteromethylamineMethylamine, 1-acetoxy-N-nitroso-N-trideuteromethyl-DTXSID1021788967557-57-7RefChem:316652DTXCID10140380[(~2~H_3_)Methyl(nitroso)amino]methyl acetate
Database identifiers
- CAS
67557-57-7- PubChem CID
- 49930
- DTXSID
DTXSID10217889- Nikkaji
- J71.018K
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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