1-Propanol, 3-((2-chloroethyl)(3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide
Basic information
- CAS
37752-33-3- Standard SMILES
CS(=O)(=O)OCCCN(CCCl)P1(=O)OCCCN1CCCl- InChIKey
AFVFUWYAUGKNAZ-UHFFFAOYSA-N- Molecular formula
- C11H23Cl2N2O5PS
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 396.0442354
Names & identifiers
- Preferred name
- 1-Propanol, 3-((2-chloroethyl)(3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide
- IUPAC
- 3-[2-chloroethyl-[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]propyl methanesulfonate
Names & synonyms
BRN 108794137752-33-31-Propanol, 3-((2-chloroethyl)(3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxideRefChem:234670DTXSID809587973-{(2-Chloroethyl)[3-(2-chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}propyl methanesulfonate
Database identifiers
- CAS
37752-33-3- PubChem CID
- 216847
- DTXSID
DTXSID80958797
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
- 474
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…