Basic information
- CAS
93089-41-9- Standard SMILES
CC1(CCc2ccc(N(CCCl)CCCl)cc2)NC(=O)NC1=O- InChIKey
VLFIDJLUELONPV-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N3O2
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 357.1010823
Names & identifiers
- Preferred name
- Hydantoin, 5-(p-(bis(2-chloroethyl)amino)phenethyl)-5-methyl-
- IUPAC
- 5-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-5-methylimidazolidine-2,4-dione
Names & synonyms
93089-41-9HYDANTOIN, 5-(p-(BIS(2-CHLOROETHYL)AMINO)PHENETHYL)-5-METHYL-RefChem:10867705-(p-(Bis(2-chloroethyl)amino)phenethyl)-5-methylhydantoinCB 1675NSC 260526BRN 06235915-25-16-00022 (Beilstein Handbook Reference)DTXSID901384656NSC260526NSC-2605262, 5-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-5-methyl-
Database identifiers
- CAS
93089-41-9- PubChem CID
- 56539
- DTXSID
DTXSID901384656
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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