Basic information
- CAS
1697-05-8- Standard SMILES
O=C(C[NH+](CCCl)CCCl)NCCNC(=O)C[NH+](CCCl)CCCl.[Cl-].[Cl-]- InChIKey
KIRXSNQPQIFQJN-UHFFFAOYSA-N- Molecular formula
- C14H28Cl6N4O2
- Average molar mass
- 497.1 g/mol
- Monoisotopic mass
- 494.034342
Names & identifiers
- Preferred name
- Acetamide, N,N'-ethylenebis((bis(2-chloroethyl)amino)-, dihydrochloride
- IUPAC
- [2-[2-[[2-[bis(2-chloroethyl)azaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-bis(2-chloroethyl)azanium dichloride
Names & synonyms
N,N'-Ethylenebis((bis(2-chloroethyl)amino)acetamide) dihydrochlorideACETAMIDE, N,N'-ETHYLENEBIS((BIS(2-CHLOROETHYL)AMINO)-, DIHYDROCHLORIDEN,N'-Ethylene-2,2'-bis(bis(2-chloroethyl)amino)bisacetamide dihydrochloride1697-05-8RefChem:314784
Database identifiers
- CAS
1697-05-8- PubChem CID
- 15544
Properties
Computed structural properties
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…