Carbanilide, 4,4'-dinitro-N,N'-dimethyl-
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Basic information
- CAS
34594-47-3- Standard SMILES
CN(C(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
FDJGIYFXRLDEJB-UHFFFAOYSA-N- Molecular formula
- C15H14N4O5
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.09641956
Names & identifiers
- Preferred name
- Carbanilide, 4,4'-dinitro-N,N'-dimethyl-
- IUPAC
- 1,3-dimethyl-1,3-bis(4-nitrophenyl)urea
- English name
- DIMETHYLDINITROCARBANILIDE
- Molecular formula
- C15H14N4O5
- Molecular weight
- 330.3
Names & synonyms
N,N'-Dimethyl-N,N'-bis(4-nitrophenyl)urea34594-47-3BRN 2226754N,N'-DimethyldinitrocarbanilideCarbanilide, 4,4'-dinitro-N,N'-dimethyl-4,4'-Dinitro-N,N'-dimethylcarbanilideAI3-27441Carbanilide, N,N'-dimethyl-4,4'-dinitro-DTXSID10188161Urea, N,N'-bis(4-nitrophenyl)-N,N'-dimethyl-Urea, N,N'-dimethyl-N,N'-bis(4-nitrophenyl)-4-12-00-01652 (Beilstein Handbook Reference)
Show more names
RefChem:333201DTXCID40110652Urea, N,N'-dimethyl-N,N'-bis(4-nitrophenyl)-(9CI)DIMETHYLDINITROCARBANILIDESCHEMBL11002701
Database identifiers
- CAS
34594-47-3- PubChem CID
- 214924
- DTXSID
DTXSID10188161- Nikkaji
- J68.114H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Melting point
- 149 · 149-151 °C
- Boiling point
- 513.365 · 513.365±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -3.801 · -3.801±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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