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Cyclophosphamide Impurity B

CAT: 1596-AR-C03806-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03806-02Size:25 Units
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CAS Number
22089-17-4
Synonyms
2- (bis (2-chloroethyl) amino) -3-methyl-1,3,2-oxazaphosphinane 2-oxide
Molecular Formula
C8H17Cl2N2O2P
Molecular Weight
275.11
API Name
Cyclophosphamide

Chemical Information

2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-methyl-, 2-oxide
CAS Number22089-17-4
PubChem CID211031
IUPAC NameN,N-bis(2-chloroethyl)-3-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Molecular FormulaC8H17Cl2N2O2P
Molecular Weight275.11
XLogP1.2
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
CN1CCCOP1(=O)N(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N2O2P/c1-11-5-2-8-14-15(11,13)12(6-3-9)7-4-10/h2-8H2,1H3
InChIKey
GTSZJFSUYZICDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-methyl-, 2-oxide
CAS: 22089-17-4
CID: 211031
Formula: C8H17Cl2N2O2P
MW: 275.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.11
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass274.0404702
Monoisotopic Mass274.0404702
Topological Polar Surface Area32.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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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