Chlornidine
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Basic information
- CAS
26389-78-6- Standard SMILES
Cc1cc([N+](=O)[O-])c(N(CCCl)CCCl)c([N+](=O)[O-])c1- InChIKey
XKUWFOYPQIVFMM-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2N3O4
- Average molar mass
- 322.14 g/mol
- Monoisotopic mass
- 321.0283113
Overview
A genus of the Torpedinidae family consisting of several species. Members of this family have powerful electric organs and are commonly called electric rays.
Names & identifiers
- Preferred name
- Chlornidine
- IUPAC
- N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline
- English name
- CHLORNIDINE)
- Molecular formula
- C11H13Cl2N3O4
- Molecular weight
- 322.14
Names & synonyms
CHLORNIDINETorpedoN,N-Bis(2-chloroethyl)-4-methyl-2,6-dinitroanilineCaswell No. 089A734ESH36S2N,N-Bis(2-chloroethyl)-2,6-dinitro-p-toluidineAI3-62692DTXSID8042183p-Toluidine, N,N-bis(2-chloroethyl)-2,6-dinitro-AN 5647AN 56477N,N-BIS(2-CHLOROETHYL)-4-METHYL-2,6-DINITROBENZENAMINE
Show more names
CHLORNIDINE)N,N-Bis(2-chloroethyl)-2,6-dinitro-4-methylbenzenamine
RefChem:200138DTXCID6022183XKUWFOYPQIVFMM-UHFFFAOYSA-N26389-78-6Benzenamine, N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitro-UNII-734ESH36S2orb1697826SCHEMBL10344444
Database identifiers
- CAS
26389-78-6- PubChem CID
- 33497
- DTXSID
DTXSID8042183- UNII
- 734ESH36S2
- Nikkaji
- J20.269J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- 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
- 318
Physicochemical properties
- Boiling point
- 465.8 · 465.8±45.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- pka
- -0.02 · -0.02±0.50(Predicted)
- FDA UNII
- 734 ESH36S2 · 734ESH36S2
- EPA Substance Registry System
- 2 · N,N-Bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline (26389-78-6)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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