Basic information
- CAS
99976-50-8- Standard SMILES
[O-][N+](CCCl)(CCCl)CC[N+]([O-])(CCCl)CCCl- InChIKey
BNYKQCCUTTYKGI-UHFFFAOYSA-N- Molecular formula
- C10H20Cl4N2O2
- Average molar mass
- 342.1 g/mol
- Monoisotopic mass
- 340.027889
Names & identifiers
- Preferred name
- Ethylenediamine, N,N,N',N'-tetrakis(2-chloroethyl)-, N,N'-dioxide
- IUPAC
- N,N,N',N'-tetrakis(2-chloroethyl)ethane-1,2-diamine oxide
Names & synonyms
BRN 1799935ETHYLENEDIAMINE, N,N,N',N'-TETRAKIS(2-CHLOROETHYL)-, N,N'-DIOXIDE99976-50-8N,N,N',N'-Tetrakis(2-chloroethyl)ethylenediamine N,N'-dioxide4-04-00-01178 (Beilstein Handbook Reference)DTXSID00244366RefChem:345251DTXCID00166857N~1~,N~1~,N~2~,N~2~-Tetrakis(2-chloroethyl)ethane-1,2-diamine N-oxide
Database identifiers
- CAS
99976-50-8- PubChem CID
- 57592
- DTXSID
DTXSID00244366
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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