Basic information
- CAS
76149-21-8- Standard SMILES
CC(=O)C(=O)C(=O)N(c1ccccc1)N(C)N=O.O- InChIKey
JGSBMTNYBRRKBK-UHFFFAOYSA-N- Molecular formula
- C11H13N3O5
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.08552052
Overview
formed by reaction of sulpyrine with nitrite; structure given in first source
Names & identifiers
- Preferred name
- 1-Diketobutyryl-1-phenyl-2-methyl-2-nitrosohydrazide
- IUPAC
- N-[N-(2,3-dioxobutanoyl)anilino]-N-methylnitrous amide;hydrate
Names & synonyms
DPMN1-Diketobutyryl-1-phenyl-2-methyl-2-nitrosohydrazide76149-21-8DTXSID70227005RefChem:75610DTXCID301494961-Diketobutyryl-1-phenyl-2-methyl-2-nitrosohydrazide hydrate2,3-Dioxobutyric acid 2-methyl-2-nitroso-1-phenylhydrazide hydrateSCHEMBL29415350N-[N-(2,3-dioxobutanoyl)anilino]-N-methylnitrous amide;hydrateBUTYRIC ACID, 2,3-DIOXO-, 2-METHYL-2-NITROSO-1-PHENYLHYDRAZIDE, HYDRATEN'-Methyl-N'-nitroso-2,3-dioxo-N-phenylbutanehydrazide--water (1/1)
Database identifiers
- CAS
76149-21-8- PubChem CID
- 53455
- DTXSID
DTXSID70227005
Properties
Computed structural properties
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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