Ethanol, 2-((3-(2-chloroethyl)tetrahydro-5,5-dimethyl-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), p-oxide
Basic information
- CAS
37752-35-5- Standard SMILES
CC1(C)COP(=O)(NCCOS(C)(=O)=O)N(CCCl)C1- InChIKey
GJYZTIXTZDOCOX-UHFFFAOYSA-N- Molecular formula
- C10H22ClN2O5PS
- Average molar mass
- 348.78 g/mol
- Monoisotopic mass
- 348.0675577
Names & identifiers
- Preferred name
- Ethanol, 2-((3-(2-chloroethyl)tetrahydro-5,5-dimethyl-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), p-oxide
- IUPAC
- 2-[[3-(2-chloroethyl)-5,5-dimethyl-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]ethyl methanesulfonate
- English name
- 3-(2-chloroethyl)-5,5-dimethyl-N-(2-methylsulfonyloxyethyl)-2-oxo-1-ox a-3-aza-2$l^{5}-phosphacyclohexan-2-amine
- Molecular formula
- C10H22ClN2O5PS
- Molecular weight
- 348.78
Names & synonyms
BRN 108532037752-35-5Ethanol, 2-((3-(2-chloroethyl)tetrahydro-5,5-dimethyl-2H-1,3,2-oxazaphosphorin-2-yl)amino)-, methanesulfonate (ester), p-oxideRefChem:340777DTXSID009587992-{[3-(2-Chloroethyl)-5,5-dimethyl-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}ethyl methanesulfonate3-(2-chloroethyl)-5,5-dimethyl-N-(2-methylsulfonyloxyethyl)-2-oxo-1-ox a-3-aza-2$l^{5}-phosphacyclohexan-2-amineEthanol, 2-[[3-(2-chloroethyl)tetrahydro-5,5-dimethyl-2-oxido-2H-1,3,2-oxazaphosphorin-2-yl]amino]-, methanesulfonate (ester) (9CI)
Database identifiers
- CAS
37752-35-5- PubChem CID
- 216849
- DTXSID
DTXSID00958799
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 468.1 · 468.1±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 0.99 · 0.99±0.40(Predicted)
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Compound notes
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