Basic information
- CAS
18228-82-5- Standard SMILES
O=P(OCc1ccccc1)(N(CCCl)CCCl)N1CCCCC1- InChIKey
XCRJEGTWWYVNKA-UHFFFAOYSA-N- Molecular formula
- C16H25Cl2N2O2P
- Average molar mass
- 379.3 g/mol
- Monoisotopic mass
- 378.1030704
Names & identifiers
- Preferred name
- 2-chloro-N-(2-chloroethyl)-N-[phenylmethoxy(piperidin-1-yl)phosphoryl]ethanamine
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[phenylmethoxy(piperidin-1-yl)phosphoryl]ethanamine
Names & synonyms
NSC7495818228-82-5DTXSID00328978NSC-74958DS-013140Benzyl N,N-bis(2-chloroethyl)-P-(piperidin-1-yl)phosphonamidatePhosphonamidic acid,N-bis(2-chloroethyl)-P-piperidino-, benzyl ester2-chloro-N-(2-chloroethyl)-N-(phenylmethoxy-(1-piperidyl)phosphoryl)ethanamine
Database identifiers
- CAS
18228-82-5- PubChem CID
- 416005
- DTXSID
DTXSID00328978
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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