Basic information
- CAS
65222-41-5- Standard SMILES
O=NN(CCCCCCCN(N=O)C(=O)NCCCl)C(=O)NCCCl- InChIKey
DIMFGYITDISRKY-UHFFFAOYSA-N- Molecular formula
- C13H24Cl2N6O4
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.1236087
Names & identifiers
- Preferred name
- Urea, 1,1'-heptamethylenebis(3-(2-chloroethyl)-1-nitroso-
- IUPAC
- 3-(2-chloroethyl)-1-[7-[2-chloroethylcarbamoyl(nitroso)amino]heptyl]-1-nitrosourea
Names & synonyms
Urea, 1,1'-heptamethylenebis(3-(2-chloroethyl)-1-nitroso-1,1'-Heptamethylenebis(3-(2-chloroethyl)-1-nitrosourea)65222-41-5DTXSID50215526RefChem:387163DTXCID80138017N,N'-Heptane-1,7-diylbis[N'-(2-chloroethyl)-N-nitrosourea]
Database identifiers
- CAS
65222-41-5- PubChem CID
- 149261
- DTXSID
DTXSID50215526
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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