1-Propanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxide
Basic information
- CAS
37752-41-3- Standard SMILES
CCCS(=O)(=O)OCCNP1(=O)OCCCN1CCCl- InChIKey
XNFSEUMNEVOOCN-UHFFFAOYSA-N- Molecular formula
- C10H22ClN2O5PS
- Average molar mass
- 348.78 g/mol
- Monoisotopic mass
- 348.0675577
Names & identifiers
- Preferred name
- 1-Propanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxide
- IUPAC
- 2-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]ethyl propane-1-sulfonate
- English name
- 1-Propanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxaza phosphorin-2-yl)amino)ethyl ester, P-oxide
- Molecular formula
- C10H22ClN2O5PS
- Molecular weight
- 348.786
Names & synonyms
37752-41-3BRN 10859471-Propanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxideRefChem:234586DTXSID309588032-{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}ethyl propane-1-sulfonate1-Propanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxaza phosphorin-2-yl)amino)ethyl ester, P-oxide
Database identifiers
- CAS
37752-41-3- PubChem CID
- 216853
- DTXSID
DTXSID30958803
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
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Related reactions
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Compound notes
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