Basic information
- CAS
64047-52-5- Standard SMILES
Cc1ccc(C(=O)N2CC2)cc1N(CCCl)CCCl.O- InChIKey
RRGCKMHKMCUKAH-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2N2O2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0901833
Names & identifiers
- Preferred name
- Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate
- IUPAC
- aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone;hydrate
Names & synonyms
64047-52-5KETONE, AZIRIDINYL 3-(BIS(2-CHLOROETHYL)AMINO)-p-TOLYL, HYDRATEAziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl ketone hydrateDTXSID20214127RefChem:350440DTXCID20136618(Aziridin-1-yl){3-[bis(2-chloroethyl)amino]-4-methylphenyl}methanone--water (1/1)
Database identifiers
- CAS
64047-52-5- PubChem CID
- 46706
- DTXSID
DTXSID20214127
Properties
Computed structural properties
- Topological polar surface area
- 24.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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