Basic information
- CAS
78149-83-4- Standard SMILES
CC(Cl)CN(CCCl)P1(=O)NCCCO1- InChIKey
SMERYMOESUHYBH-UHFFFAOYSA-N- Molecular formula
- C8H17Cl2N2O2P
- Average molar mass
- 275.11 g/mol
- Monoisotopic mass
- 274.0404702
Names & identifiers
- Preferred name
- 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(N-(2-chloroethyl)-N-(2-chloropropyl)amino)-, 2-oxide
- IUPAC
- N-(2-chloroethyl)-N-(2-chloropropyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
- English name
- Cyclophosphamide impurity
- Molecular formula
- C8H17Cl2N2O2P
- Molecular weight
- 275.11
Names & synonyms
78149-83-4B 691NSC 46405BRN 0983029Tetrahydro-2-(N-(2-chloroethyl)-N-(2-chloropropyl)amino)-2H-1,3,2-oxazaphosphorine 2-oxide2H-1,3,2-Oxazaphosphorin-2-amine, N-(2-chloroethyl)-N-(2-chloropropyl)tetrahydro-, 2-oxide2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(N-(2-chloroethyl)-N-(2-chloropropyl)amino)-, 2-oxideRefChem:2677242H-1,3,2-Oxazaphosphorin-2-amine, N-(2-chloroethyl)-N-(2-chloropropyl)tetrahydro-, 2-oxide (9CI)NSC-46405N-(2-chloroethyl)-N-(2-chloropropyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amineEF26Y56ERF
Show more names
Cyclophosphamide impurityCyclophosphamide Impurity 12N-(2-Chloroethyl)-N-(2-chloropropyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide
DTXSID90999393NSC464052-[(2-Chloroethyl)(2-chloropropyl)amino]-1,3,2lambda~5~-oxazaphosphinan-2-one2H-1,2-Oxazaphosphorin-2-amine, N-(2-chloroethyl)-N-(2-chloropropyl)tetrahydro-, 2-oxide
Database identifiers
- CAS
78149-83-4- PubChem CID
- 95986
- DTXSID
DTXSID90999393- UNII
- EF26Y56ERF
- Nikkaji
- J78.574A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 344.5 · 344.5±52.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.20(Predicted)
Chemistry & industry
Suppliers8 total
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常州翔龙医药科技有限公司18661161657 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
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Compound notes
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