Benzenamine, N,N-bis(2-chloroethyl)-4-phenoxy-
Basic information
- CAS
50891-76-4- Standard SMILES
ClCCN(CCCl)c1ccc(Oc2ccccc2)cc1- InChIKey
JJOMUOBVZPKILJ-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2NO
- Average molar mass
- 310.2 g/mol
- Monoisotopic mass
- 309.0687196
Names & identifiers
- Preferred name
- Benzenamine, N,N-bis(2-chloroethyl)-4-phenoxy-
- IUPAC
- N,N-bis(2-chloroethyl)-4-phenoxyaniline
Names & synonyms
50891-76-4Benzenamine, N,N-bis(2-chloroethyl)-4-phenoxy-n,n-bis(2-chloroethyl)-4-phenoxyanilineNSC58426NSC 58426Aniline, N,N-bis(2-chloroethyl)-p-phenoxy-N,N-Bis(2-chloroethyl)-4-phenoxybenzenamineNCIOpen2_007845CHEMBL170665DTXSID40198915NSC-58426Aniline,N-bis(2-chloroethyl)-p-phenoxy-
Database identifiers
- CAS
50891-76-4- PubChem CID
- 96186
- DTXSID
DTXSID40198915- ChEMBL
CHEMBL170665
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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