Basic information
- CAS
25223-87-4- Standard SMILES
Cl.O=C(CCN(CCCl)CCCl)c1ccccc1- InChIKey
ZZXCEJDMVQLVCN-UHFFFAOYSA-N- Molecular formula
- C13H18Cl3NO
- Average molar mass
- 310.6 g/mol
- Monoisotopic mass
- 309.045397
Names & identifiers
- Preferred name
- 1-Propanone, 3-(bis(2-chloroethyl)amino)-1-phenyl-, hydrochloride
- IUPAC
- 3-[bis(2-chloroethyl)amino]-1-phenylpropan-1-one;hydrochloride
Names & synonyms
25223-87-43-(Bis(2-chloroethyl)amino)-1-phenyl-1-propanone hydrochloride1-Propanone, 3-(bis(2-chloroethyl)amino)-1-phenyl-, hydrochloridebeta-(Bis(2-chloraethyl)amino)propiophenon-hydrochlorid [German]beta-(Bis(2-chloraethyl)amino)propiophenon-hydrochloridRefChem:234981DTXSID609480753-[Bis(2-chloroethyl)amino]-1-phenylpropan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
25223-87-4- PubChem CID
- 212866
- DTXSID
DTXSID60948075
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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