Octanedial, 2,7-dioxo-, N,N-dione
Basic information
- CAS
1448-16-4- Standard SMILES
[N-]=[N+]=CC(=O)CCCCC(=O)C=[N+]=[N-]- InChIKey
VFZYDBOHAXCBKP-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.08037557
Overview
russian drug
Names & identifiers
- Preferred name
- Octanedial, 2,7-dioxo-, N,N-dione
- IUPAC
- 1,8-didiazooctane-2,7-dione
- English name
- bis(diazoacetyl)butane
- Molecular formula
- C8H10N4O2
- Molecular weight
- 194.19
Names & synonyms
Bis(diazoacetyl)butane1448-16-41,4-bisdiazoacetylbutaneRefChem:120208Octanedial, 2,7-dioxo-, N,N-dione1,4-Bis(diazoacetyl)butane1,8-DIDIAZOOCTANE-2,7-DIONE1,8-bis(diazo)octane-2,7-dione1,4-Bis-diazoacetylbutaneSupermutagenDAB (mutagen)2,7-OCTANEDIONE, 1,8-BIS(DIAZO)-
Show more names
DAB【mutagen】4-Bis-diazoacetylbutane4-Bis(diazoacetyl)butane1,8-Bisdiazooctane-2,7-dione1,8-Bis(diazo)-2,7-octanedione
orb1703682DTXSID8074524SCHEMBL29724562AKOS001025491CS-0646941T23797Z56755545
Database identifiers
- CAS
1448-16-4- PubChem CID
- 15061
- DTXSID
DTXSID8074524- Nikkaji
- J14.165H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 69 · 69-71 °C
- Boiling point
- 330.63 °C · 330.63°C (rough estimate)
- Density
- 1.3003 · 1.3003 (rough estimate)
- refractive index
- 1.659 · 1.6590 (estimate)
- EPA Substance Registry System
- 1 · 1,4-Bis(diazoacetyl)butane (1448-16-4)
- Toxicity
- 60 nmol/L · mmo-esc 60 nmol/L SOGEBZ 10,81,74
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
- mmo-esc 60 nmol/L SOGEBZ 10,81,74
Chemistry & industry
Applications
UsesBis(diazoacetyl)butane is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…