Basic information
- CAS
36317-95-0- Standard SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]- InChIKey
XFDXNBOTTKUHKE-UHFFFAOYSA-N- Molecular formula
- C13H18N4O5
- Average molar mass
- 310.31 g/mol
- Monoisotopic mass
- 310.12771969
Names & identifiers
- Preferred name
- 4-(Dipropylamino)-3,5-dinitrobenzamide
- IUPAC
- 4-(dipropylamino)-3,5-dinitrobenzamide
Names & synonyms
36317-95-04-(dipropylamino)-3,5-dinitrobenzamideNSC175074CHEMBL310500DTXSID40306290AKOS032970873NSC-175074NCI60_001430
Database identifiers
- CAS
36317-95-0- PubChem CID
- 300481
- DTXSID
DTXSID40306290- ChEMBL
CHEMBL310500- Nikkaji
- J1.799.144B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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