Basic information
- CAS
101468-24-0- Standard SMILES
C=CC[NH+](C)CC[NH+](CCCl)CCCl.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
DWJTUPOOCOKQAR-UHFFFAOYSA-N- Molecular formula
- C22H26Cl2N8O14
- Average molar mass
- 697.4 g/mol
- Monoisotopic mass
- 696.0945529
Names & identifiers
- Preferred name
- Ethylenediamine, N-allyl-N',N'-bis(2-chloroethyl)-N-methyl-, dipicrate
- IUPAC
- bis(2-chloroethyl)-[2-[methyl(prop-2-enyl)azaniumyl]ethyl]azanium;bis(2,4,6-trinitrophenolate)
Names & synonyms
ETHYLENEDIAMINE, N-ALLYL-N',N'-BIS(2-CHLOROETHYL)-N-METHYL-, DIPICRATE101468-24-0N-Allyl-N',N'-bis(2-chloroethyl)-N-methylethylenediamine dipicrateDTXSID30143939RefChem:345277DTXCID2066430N~1~,N~1~-Bis(2-chloroethyl)-N~2~-methyl-N~2~-(prop-2-en-1-yl)ethane-1,2-bis(aminium) bis(2,4,6-trinitrophenolate)
Database identifiers
- CAS
101468-24-0- PubChem CID
- 58385
- DTXSID
DTXSID30143939
Properties
Computed structural properties
- Topological polar surface area
- 330 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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