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Cyclophosphamide EP Impurity A

CAT: 1596-AR-C03805-02Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03805-02Size:250 Units
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CAS Number
1797009-12-1
Synonyms
2- ((2-chloroethyl) (2-hydroxyethyl) amino) -1,3,2-oxazaphosphinane 2-oxide; Monohydroxy Cyclophosphamide
Molecular Formula
C7H16ClN2O3P
Molecular Weight
242.64
API Name
Cyclophosphamide

Chemical Information

N-Deschloroethyl-N-hydroxyethyl Cyclophosphamide
CAS Number1797009-12-1
PubChem CID129011999
IUPAC Name2-[2-chloroethyl-(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)amino]ethanol
Molecular FormulaC7H16ClN2O3P
Molecular Weight242.64
XLogP-0.6
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity217
SMILES
C1CNP(=O)(OC1)N(CCO)CCCl
InChI
InChI=1S/C7H16ClN2O3P/c8-2-4-10(5-6-11)14(12)9-3-1-7-13-14/h11H,1-7H2,(H,9,12)
InChIKey
SWXKSMTWZSQXCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Deschloroethyl-N-hydroxyethyl Cyclophosphamide
CAS: 1797009-12-1
CID: 129011999
Formula: C7H16ClN2O3P
MW: 242.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.64
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass242.0587071
Monoisotopic Mass242.0587071
Topological Polar Surface Area61.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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