Basic information
- CAS
89837-94-5- Standard SMILES
CC(=O)CN(COC(C)=O)N=O- InChIKey
WBBIYRQDHZMMPN-UHFFFAOYSA-N- Molecular formula
- C6H10N2O4
- Average molar mass
- 174.15 g/mol
- Monoisotopic mass
- 174.0640568
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Nitroso-N-acetoxymethyl-N-2-oxopropylamine
- IUPAC
- [nitroso(2-oxopropyl)amino]methyl acetate
Names & synonyms
N-nitroso-n-acetoxymethyl-n-2-oxopropylamine89837-94-5DTXSID80237918NAMOPARefChem:163964DTXCID30160409N-Acetoxymethyl-N-2-oxopropylnitrosamineCCRIS 1456[nitroso(2-oxopropyl)amino]methyl acetate2-Propanone, 1-((hydroxymethyl)nitrosamino)-, acetate (ester)Acetic acid, (acetonylnitrosamino)methyl ester2-Propanone, 1-((acetyloxymethyl)nitrosoamino)-
Show more names
Acetic acid, ((2-oxopropyl)nitrosamino)methyl ester1-((Hydroxymethyl)nitrosamino)-2-propanone acetate (ester)
Database identifiers
- CAS
89837-94-5- PubChem CID
- 150281
- DTXSID
DTXSID80237918- Nikkaji
- J79.186E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…