Basic information
- CAS
6309-99-5- Standard SMILES
O=C(Cc1ccc(CC(=O)N2CC2)cc1)N1CC1- InChIKey
GYPNHVUMLCCZNH-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 2,2'-Benzene-1,4-diylbis[1-(aziridin-1-yl)ethanone]
- IUPAC
- 1-(aziridin-1-yl)-2-[4-[2-(aziridin-1-yl)-2-oxoethyl]phenyl]ethanone
Names & synonyms
6309-99-52,2'-benzene-1,4-diylbis[1-(aziridin-1-yl)ethanone]NSC43004DTXSID00285850NSC-43004DS-0085932,2'-(1,4-Phenylene)bis[1-(aziridin-1-yl)ethan-1-one]1-aziridin-1-yl-2-[4-(2-aziridin-1-yl-2-oxo-ethyl)phenyl]ethanone
Database identifiers
- CAS
6309-99-5- PubChem CID
- 238565
- DTXSID
DTXSID00285850
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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