Basic information
- CAS
40478-25-9- Standard SMILES
O=C1c2ccccc2C(=O)N1CN(CCCl)CCCl- InChIKey
NNESHRNTUABYGW-UHFFFAOYSA-N- Molecular formula
- C13H14Cl2N2O2
- Average molar mass
- 301.16 g/mol
- Monoisotopic mass
- 300.0432331
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-
- IUPAC
- 2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione
Names & synonyms
BRN 153796840478-25-91H-Isoindole-1,3(2H)-dione, 2-((bis(2-chloroethyl)amino)methyl)-N-(Bis(2-chloraethyl)aminomethyl)phthalimid [German]N-(Bis(2-chloraethyl)aminomethyl)phthalimid2-((Bis(2-chloroethyl)amino)methyl)-1H-isoindole-1,3(2H)-dioneDTXSID201934885-21-10-00373 (Beilstein Handbook Reference)NSC 536692-{[bis(2-chloroethyl)amino]methyl}-1H-isoindole-1,3(2H)-dioneRefChem:239288DTXCID30115979
Show more names
NSC53669NSC-536691H-Isoindole-1, 2-[[bis(2-chloroethyl)amino]methyl]-
Database identifiers
- CAS
40478-25-9- PubChem CID
- 96115
- DTXSID
DTXSID20193488
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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