Basic information
- CAS
37752-34-4- Standard SMILES
CS(=O)(=O)OCCN1CCCOP1(=O)NCCCl- InChIKey
YAYVNPIXOHXJPJ-UHFFFAOYSA-N- Molecular formula
- C8H18ClN2O5PS
- Average molar mass
- 320.73 g/mol
- Monoisotopic mass
- 320.0362575
Names & identifiers
- Preferred name
- 2H-1,3,2-Oxazaphosphorine-3(4H)-ethanol, dihydro-2-((2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxide
- IUPAC
- 2-[2-(2-chloroethylamino)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]ethyl methanesulfonate
Names & synonyms
BRN 108355337752-34-42H-1,3,2-Oxazaphosphorine-3(4H)-ethanol, dihydro-2-((2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxideRefChem:267731DTXSID409587982-{2-[(2-Chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-3-yl}ethyl methanesulfonate
Database identifiers
- CAS
37752-34-4- PubChem CID
- 216848
- DTXSID
DTXSID40958798
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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