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Basic information
- CAS
4587-15-9- Standard SMILES
O=C(c1cccc(N(CCCl)CCCl)c1)N1CCOCC1- InChIKey
KMZZDAZLILAJHI-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2N2O2
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 330.09018324
Names & identifiers
- Preferred name
- Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino
- IUPAC
- [3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-ylmethanone
Names & synonyms
KETONE, m-(BIS(2-CHLOROETHYL)AMINO)PHENYL MORPHOLINO4587-15-9DTXSID80196632RefChem:350468DTXCID20119123{3-[Bis(2-chloroethyl)amino]phenyl}(morpholin-4-yl)methanone
Database identifiers
- CAS
4587-15-9- PubChem CID
- 20721
- DTXSID
DTXSID80196632- Nikkaji
- J96.772F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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