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N-Dechloroethylifosfamide

CAT: 0572-TRC-D585585-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D585585-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53459-55-5
Synonyms
(RS)-2-De(chloroethyl)ifosfamide;2-Amino-3-(2-chloroethyl)-1,3,2-oxazaphosphinane 2-oxide;2-Amino-3-(2-chloroethyl)-1,3,2λ5-oxazaphosphinan-2-one;2-Dechloroethylifosfamide;Dechloroethylifosfamide;
Hazard Statement
No Data Available
Smiles
ClCCN(CCCO1)[P]1(N)=O
Molecular Formula
C5H12ClN2O2P
Molecular Weight
198.59
InChI
InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)
Additionnal Information
IUPAC name: 2-amino-3-(2-chloroethyl)-1,3,2-oxazaphosphinane 2-oxide
Shipping Conditions
Room Temperature

Chemical Information

Dechloroethylifosfamide

2-Dechloroethylifosfamide is an organophosphorus compound and an organonitrogen heterocyclic compound.

CAS Number53459-55-5
PubChem CID119105
IUPAC Name3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Molecular FormulaC5H12ClN2O2P
Molecular Weight198.59
XLogP-0.2
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity178
SMILES
C1CN(P(=O)(OC1)N)CCCl
InChI
InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)
InChIKey
ROGLJLJCDSTWBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dechloroethylifosfamide
CAS: 53459-55-5
CID: 119105
Formula: C5H12ClN2O2P
MW: 198.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.59
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass198.0324923
Monoisotopic Mass198.0324923
Topological Polar Surface Area55.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity178
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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