Basic information
- CAS
13059-87-5- Standard SMILES
CCC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
GMXQFXLQBAAKFN-UHFFFAOYSA-N- Molecular formula
- C10H13N3O4
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.0906059
Names & identifiers
- Preferred name
- N-sec-Butyl-2,4-dinitrobenzenamine
- IUPAC
- N-butan-2-yl-2,4-dinitroaniline
Names & synonyms
N-sec-Butyl-2,4-dinitrobenzenamineN-(butan-2-yl)-2,4-dinitroanilineOprea1_875206SCHEMBL8810869DTXSID101271546AKOS003238550AKOS017261871(2,4-dinitrophenyl)(methylpropyl)amine13059-87-5ST001613N-(1-Methylpropyl)-2,4-dinitrobenzenamine
Database identifiers
- CAS
13059-87-5- PubChem CID
- 3928385
- DTXSID
DTXSID101271546- Nikkaji
- J47.540H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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