Basic information
- CAS
7750-75-6- Standard SMILES
O=C1CNC(=O)N1CN(CCCl)CCCl- InChIKey
LOVUMIHFRIUALA-UHFFFAOYSA-N- Molecular formula
- C8H13Cl2N3O2
- Average molar mass
- 254.11 g/mol
- Monoisotopic mass
- 253.0384821
Names & identifiers
- Preferred name
- Hydantoin, 3-(bis(2-chloroethyl)aminomethyl)-
- IUPAC
- 3-[bis(2-chloroethyl)aminomethyl]imidazolidine-2,4-dione
- English name
- 3-[[Bis(2-chloroethyl)amino]methyl]-2,4-imidazolidinedione
- Molecular weight
- 0
Names & synonyms
BRN 06543893-(Bis(2-chloroethyl)aminomethyl)hydantoinHYDANTOIN, 3-(BIS(2-CHLOROETHYL)AMINOMETHYL)-7750-75-63-(Bis-(2-chloraethyl)aminomethyl)hydantoin [German]3-(Bis-(2-chloraethyl)aminomethyl)hydantoinDTXSID402282065-24-05-00189 (Beilstein Handbook Reference)RefChem:347921DTXCID201506973-{[bis(2-chloroethyl)amino]methyl}imidazolidine-2,4-dione3-[[Bis(2-chloroethyl)amino]methyl]-2,4-imidazolidinedione
Database identifiers
- CAS
7750-75-6- PubChem CID
- 24428
- DTXSID
DTXSID40228206- Nikkaji
- J49.452F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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