Basic information
- CAS
63915-56-0- Standard SMILES
CC[NH+](CCCl)CCCl.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
XNRVGQGUJOFEDM-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N4O7
- Average molar mass
- 399.18 g/mol
- Monoisotopic mass
- 398.0396043
Names & identifiers
- Preferred name
- Diethylamine, 2,2'-dichloro-N-ethyl-, picrate
- IUPAC
- bis(2-chloroethyl)-ethylazanium;2,4,6-trinitrophenolate
Names & synonyms
Ethyl-di-(beta-chloroethyl)ammonium picrateDIETHYLAMINE, 2,2'-DICHLORO-N-ETHYL-, PICRATEAmmonium, ethyl-di-(beta-chloroethyl)-, picrate63915-56-0DTXSID60213614RefChem:338123DTXCID901361052-Chloro-N-(2-chloroethyl)-N-ethylethan-1-aminium 2,4,6-trinitrophenolate
Database identifiers
- CAS
63915-56-0- PubChem CID
- 45203
- DTXSID
DTXSID60213614
Properties
Computed structural properties
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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