Ethyl 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinane-4-carboxylate
Basic information
- CAS
67345-22-6- Standard SMILES
CCOC(=O)C1CCOP(=O)(N(CCCl)CCCl)N1- InChIKey
RBQJNGXJLYFZTH-UHFFFAOYSA-N- Molecular formula
- C10H19Cl2N2O4P
- Average molar mass
- 333.15 g/mol
- Monoisotopic mass
- 332.0459495
Names & identifiers
- Preferred name
- Ethyl 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinane-4-carboxylate
- IUPAC
- ethyl 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinane-4-carboxylate
- English name
- 2-[Bis(2-chloroethyl)amino]-4-(ethoxycarbonyl)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
- Molecular formula
- C10H19Cl2N2O4P
- Molecular weight
- 333.15
Names & synonyms
67345-22-6NSC266053DTXSID70313038NSC-266053Ethyl 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinane-4-carboxylate2-[Bis(2-chloroethyl)amino]-4-(ethoxycarbonyl)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide2H-1,3,2-Oxazaphosphorine-4-carboxylic acid, 2-[bis(2-chloroethyl)amino]tetrahydro-, ethyl ester, 2-oxide
Database identifiers
- CAS
67345-22-6- PubChem CID
- 319933
- DTXSID
DTXSID70313038- Nikkaji
- J395.082D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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