Basic information
- CAS
13059-84-2- Standard SMILES
CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
VTYSAZUSTIWCND-UHFFFAOYSA-N- Molecular formula
- C9H11N3O4
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.07495584
Names & identifiers
- Preferred name
- 2,4-Dinitro-n-propylaniline
- IUPAC
- 2,4-dinitro-N-propylaniline
- English name
- N-Propyl-2,4-dinitroaniline
- Molecular formula
- C9H11N3O4
- Molecular weight
- 225.2
Names & synonyms
2,4-Dinitro-n-propylanilineN-Propyl-2,4-dinitroaniline13059-84-2Aniline, 2,4-dinitro-N-propyl-Benzenamine, 2,4-dinitro-N-propyl-N-PROPYL-2,4-DINITROBENZENAMINEOprea1_704320SCHEMBL891444CHEMBL2185882,4-Dinitro-n-propylaniline #SCHEMBL14063303VTYSAZUSTIWCND-UHFFFAOYSA-N
Show more names
N-(2,4-dinitrophenyl)-n-propylamine
DTXSID001347811N-(n-propyl)-2,4-dinitroanilineMFCD00450207AKOS008926693AE-641/30106004Q63395483
Database identifiers
- CAS
13059-84-2- PubChem CID
- 607353
- DTXSID
DTXSID001347811- ChEMBL
CHEMBL218588- Nikkaji
- J47.516E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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