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Cyclophosphamide Impurity 41

CAT: 1299-RM-C031941-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C031941-04Size:100 mg
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CAS Number
51786-19-7
Synonyms
Bis (2-hydroxyethyl) phosphoramidic acid
Molecular Formula
C4H12NO5P
Molecular Weight
185.12
Target Alternative Name
Cyclophosphamide
Product Name Synonym
Bis (2-hydroxyethyl) phosphoramidic acid

Chemical Information

Bis(2-hydroxyethyl)phosphoramidic acid
CAS Number51786-19-7
PubChem CID18964042
IUPAC Name[bis(2-hydroxyethyl)amino]phosphonic acid
Molecular FormulaC4H12NO5P
Molecular Weight185.12
XLogP-2.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C(CO)N(CCO)P(=O)(O)O
InChI
InChI=1S/C4H12NO5P/c6-3-1-5(2-4-7)11(8,9)10/h6-7H,1-4H2,(H2,8,9,10)
InChIKey
RVOUFUGQSHQPRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2-hydroxyethyl)phosphoramidic acid
CAS: 51786-19-7
CID: 18964042
Formula: C4H12NO5P
MW: 185.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.12
XLogP3-2.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass185.04530948
Monoisotopic Mass185.04530948
Topological Polar Surface Area101 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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