Dipropalin
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Basic information
- CAS
1918-08-7- Standard SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]- InChIKey
UDVZOMAEGATTSE-UHFFFAOYSA-N- Molecular formula
- C13H19N3O4
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.13755609
Names & identifiers
- Preferred name
- Dipropalin
- IUPAC
- 4-methyl-2,6-dinitro-N,N-dipropylaniline
- English name
- N,N-DIPROPYL-2,6-DINITRO-PARA-TOLUIDINE
- Molecular formula
- C13H19N3O4
- Molecular weight
- 281.31
Names & synonyms
DIPROPALIN4-methyl-2,6-dinitro-N,N-dipropylanilineCaswell No. 391C2,6-Dinitro-N,N-dipropyl-p-toluidine1918-08-7DIPROPALIN [MI]EPA Pesticide Chemical Code 391400Benzenamine, 4-methyl-2,6-dinitro-N,N-dipropyl-N,N-Dipropyl-2,6-dinitro-p-toluidineBRN 2816199p-Toluidine, 2,6-dinitro-N,N-dipropyl-2,6-Dinitro-N,N-di-n-propyl-p-toluidine
Show more names
2,6-Dinitro-p-tolyldipropylamine2,6-DINITRO-N,N-DIPROPYL-PARA-TOLUIDINEN,N-DIPROPYL-2,6-DINITRO-PARA-TOLUIDINEN-bis-(n-propyl)-2,6-dinitro-4-methylaniline
389074G62JDTXSID1041895N,N-Di-n-propyl-2,6-dinitro-4-methylanilineUNII-389074G62J3,5-DINITRO-4-DIPROPYLAMINOTOLUENE2,6-DINITRO-N,N-DIPROPYL-4-METHYLANILINEL-35355N,N-DIPROPYL-2,6-DINITRO-4-METHYLANILINE
Database identifiers
- CAS
1918-08-7- PubChem CID
- 15966
- DTXSID
DTXSID1041895- UNII
- 389074G62J
- Nikkaji
- J7.813A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 80 ° · 80°
- Boiling point
- 411.1 · 411.1±45.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 1.31 · 1.31±0.50(Predicted)
- FDA UNII
- 389074 G62J · 389074G62J
- EPA Substance Registry System
- Dipropalin (1918-08-7)
Chemistry & industry
Applications
UsesHerbicide.
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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