Phenyl N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)phosphonamidate
Basic information
- CAS
172882-00-7- Standard SMILES
CC12CNCC(C)(CN(P(=O)(Oc3ccccc3)N(CCCl)CCCl)C1)C2=O- InChIKey
ATIMRJKRLGNDNE-UHFFFAOYSA-N- Molecular formula
- C19H28Cl2N3O3P
- Average molar mass
- 448.3 g/mol
- Monoisotopic mass
- 447.1245341
Names & identifiers
- Preferred name
- Phenyl N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)phosphonamidate
- IUPAC
- 3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Names & synonyms
phenyl N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]non-3-yl)phosphonamidatePhenyl N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo(3.3.1)non-3-yl)phosphonamidateRefChem:369699172882-00-7STK750983AKOS005615614phenyl N,N-bis(2-chloroethyl)-P-((1R,5S)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl)phosphonamidatephenyl N,N-bis(2-chloroethyl)-P-(1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl)phosphonamidate
Database identifiers
- CAS
172882-00-7- PubChem CID
- 3740673
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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