Basic information
- CAS
52129-71-2- Standard SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)=O)cc1[N+](=O)[O-]- InChIKey
VAKVTKYOQPQPJM-UHFFFAOYSA-N- Molecular formula
- C14H19N3O5
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.13247072
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-
- IUPAC
- 1-[4-(dipropylamino)-3,5-dinitrophenyl]ethanone
- English name
- 3',5'-Dinitro-4'-dipropylaminoacetophenone
- Molecular formula
- C14H19N3O5
- Molecular weight
- 309.32
Names & synonyms
Buban 373',5'-Dinitro-4'-(di-n-propylamino)acetophenoneEthanone, 1-(4-(dipropylamino)-3,5-dinitrophenyl)-4'-(Dipropylamino)-3',5'-dinitroacetophenoneEthanone, 1-[4-(dipropylamino)-3,5-dinitrophenyl]-DTXSID7068710ACETOPHENONE, 3',5'-DINITRO-4'-(DI-n-PROPYLAMINO)-RefChem:592486DTXCID604113752129-71-21-[4-(dipropylamino)-3,5-dinitrophenyl]ethan-1-oneSCHEMBL8109761
Show more names
Bulab
DB-3150533',5'-Dinitro-4'-dipropylaminoacetophenone
Database identifiers
- CAS
52129-71-2- PubChem CID
- 40241
- DTXSID
DTXSID7068710- Nikkaji
- J9.784E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 449.6 °C · 449.6°C (rough estimate)
- Density
- 1.2077 · 1.2077 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- EPA Substance Registry System
- 1 · Ethanone, 1-[4-(dipropylamino)-3,5-dinitrophenyl]- (52129-71-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-[4-(dipropylamino)-3,5-dinitrophenyl]-: INACTIVE
Related reactions
1 records
Compound notes
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