1-Butanol, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide
Basic information
- CAS
40722-72-3- Standard SMILES
CCC(COS(C)(=O)=O)NP1(=O)OCCCN1CCCl- InChIKey
HMGJHQGDFPHSAR-UHFFFAOYSA-N- Molecular formula
- C10H22ClN2O5PS
- Average molar mass
- 348.78 g/mol
- Monoisotopic mass
- 348.0675577
Names & identifiers
- Preferred name
- 1-Butanol, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide
- IUPAC
- 2-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]butyl methanesulfonate
Names & synonyms
BRN 10853191-Butanol, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), P-oxide40722-72-3RefChem:228797DTXSID609611482-{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}butyl methanesulfonate
Database identifiers
- CAS
40722-72-3- PubChem CID
- 38647
- DTXSID
DTXSID60961148
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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