N,N-bis(2-chloroethyl)-1-oxo-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-amine
Basic information
- CAS
950-48-1- Standard SMILES
O=P1(N(CCCl)CCCl)OCC2CCCN21- InChIKey
PEDQIWZKXTVLBB-UHFFFAOYSA-N- Molecular formula
- C9H17Cl2N2O2P
- Average molar mass
- 287.12 g/mol
- Monoisotopic mass
- 286.0404702
Names & identifiers
- Preferred name
- N,N-bis(2-chloroethyl)-1-oxo-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-amine
- IUPAC
- N,N-bis(2-chloroethyl)-1-oxo-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-amine
Names & synonyms
950-48-1NSC57827DTXSID20915182NSC-578271H,2-c][1,3,2]oxazaphosphole, 1-[bis(2-chloroethyl)amino]tetrahydro-, 1-oxide1-[Bis(2-chloroethyl)amino]tetrahydro-1H,3H-1lambda~5~-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-one
Database identifiers
- CAS
950-48-1- PubChem CID
- 245665
- DTXSID
DTXSID20915182
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…