Basic information
- CAS
88617-48-5- Standard SMILES
CCOC(=O)C(CC(C)C)N=Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
LOSLRIVGRKZIFT-UHFFFAOYSA-N- Molecular formula
- C19H28Cl2N2O2
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 386.1527835
Names & identifiers
- Preferred name
- Ethyl 2-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-4-methylpentanoate
- IUPAC
- ethyl 2-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-4-methylpentanoate
Names & synonyms
NSC7603388617-48-5NCIOpen2_008435NSC-76033
Database identifiers
- CAS
88617-48-5- PubChem CID
- 253296
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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