Basic information
- CAS
13908-63-9- Standard SMILES
O=C(NCCCl)NC1CCC(NC(=O)NCCCl)CC1- InChIKey
ZJBVHMDPRPAAGM-UHFFFAOYSA-N- Molecular formula
- C12H22Cl2N4O2
- Average molar mass
- 325.23 g/mol
- Monoisotopic mass
- 324.1119813
Names & identifiers
- Preferred name
- 1,1'-Cyclohexane-1,4-diylbis[3-(2-chloroethyl)urea]
- IUPAC
- 1-(2-chloroethyl)-3-[4-(2-chloroethylcarbamoylamino)cyclohexyl]urea
Names & synonyms
1,1'-cyclohexane-1,4-diylbis[3-(2-chloroethyl)urea]13908-63-91-(2-chloroethyl)-3-[4-(2-chloroethylcarbamoylamino)cyclohexyl]ureaNSC89204DTXSID40293393NSC-89204AKOS030750173Z56826157N,N'-Cyclohexane-1,4-diylbis[N'-(2-chloroethyl)urea]1-1'-(1,4-Cyclohexylene)bis[3-(2-chloroethyl) urea], trans-Urea, 1,1'-(1,4-cyclohexylene)bis[3-(2-chloroethyl)]-, trans
Database identifiers
- CAS
13908-63-9- PubChem CID
- 259334
- DTXSID
DTXSID40293393
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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