1-Propanol, 3-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide
Basic information
- CAS
37752-26-4- Standard SMILES
CS(=O)(=O)OCCCNP1(=O)OCCCN1CCCl- InChIKey
XLUZYXOJKKKJLS-UHFFFAOYSA-N- Molecular formula
- C9H20ClN2O5PS
- Average molar mass
- 334.76 g/mol
- Monoisotopic mass
- 334.0519076
Names & identifiers
- Preferred name
- 1-Propanol, 3-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide
- IUPAC
- 3-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]propyl methanesulfonate
- English name
- 1-Propanol, 3-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2 -yl)amino)-, methanesulfonate (ester), P-oxide
- Molecular formula
- C9H20ClN2O5PS
- Molecular weight
- 334.76
Names & synonyms
37752-26-4BRN 10847501-Propanol, 3-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxideRefChem:234675DTXSID409587933-{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}propyl methanesulfonate1-Propanol, 3-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2 -yl)amino)-, methanesulfonate (ester), P-oxide1-Propanol, 3-[[3-(2-chloroethyl)tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-2-yl]amino]-, methanesulfonate (ester) (9CI)
Database identifiers
- CAS
37752-26-4- PubChem CID
- 216843
- DTXSID
DTXSID40958793
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 486.3 · 486.3±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 2.36 · 2.36±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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