Basic information
- CAS
37752-28-6- Standard SMILES
CS(=O)(=O)OCCCN1CCCOP1(=O)N(CCCl)CCCl- InChIKey
BUMJLYRPNLZBCW-UHFFFAOYSA-N- Molecular formula
- C11H23Cl2N2O5PS
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 396.0442354
Names & identifiers
- Preferred name
- 2H-1,3,2-Oxazaphosphorine-3(4H)-propanol, dihydro-2-(bis(2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxide
- IUPAC
- 3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate
Names & synonyms
BRN 108794037752-28-62H-1,3,2-Oxazaphosphorine-3(4H)-propanol, dihydro-2-(bis(2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxideRefChem:267735DTXSID009587943-{2-[Bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-3-yl}propyl methanesulfonate
Database identifiers
- CAS
37752-28-6- PubChem CID
- 216844
- DTXSID
DTXSID00958794
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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