2H-1,3,2-Oxazaphosphorine-3(4H)-propanol, dihydro-2-((2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxide
Basic information
- CAS
37753-13-2- Standard SMILES
CS(=O)(=O)OCCCN1CCCOP1(=O)NCCCl- InChIKey
RNHZZBODUNBXRP-UHFFFAOYSA-N- Molecular formula
- C9H20ClN2O5PS
- Average molar mass
- 334.76 g/mol
- Monoisotopic mass
- 334.0519076
Names & identifiers
- Preferred name
- 2H-1,3,2-Oxazaphosphorine-3(4H)-propanol, dihydro-2-((2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxide
- IUPAC
- 3-[2-(2-chloroethylamino)-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate
Names & synonyms
BRN 108474937753-13-22H-1,3,2-Oxazaphosphorine-3(4H)-propanol, dihydro-2-((2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxideRefChem:267734DTXSID709588073-{2-[(2-Chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-3-yl}propyl methanesulfonate
Database identifiers
- CAS
37753-13-2- PubChem CID
- 216856
- DTXSID
DTXSID70958807
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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