| CAS Number | 22608-58-8 |
| Catalog Number | AG00BFXP(AGN-PC-0WP1G4) |
| Chemical Name | 3-((2-Chloroethyl)amino)propyl dihydrogen phosphate |
| IUPAC Name | 3-(2-chloroethylamino)propyl dihydrogen phosphate |
| InChI | InChI=1S/C5H13ClNO4P/c6-2-4-7-3-1-5-11-12(8,9)10/h7H,1-5H2,(H2,8,9,10) |
| InChI Key | PITFYGYGJBKWBD-UHFFFAOYSA-N |
| MDL Number | MFCD02661372 |
| Molecular Formula | C5H13ClNO4P |
| Molecular Weight | 217.5878 |
| SMILES | OP(OCCCNCCCl)(O)=O |
| Synonyms | 22608-58-8,
3-((2-Chloroethyl)amino)propyl dihydrogen phosphate,
Ifosfamide Impurity A,
CHEMBL314429,
ZINC26571646,
LS-121892,
{3-[(2-chloroethyl)amino]propoxy}phosphonic acid,
CS-P-01421,
CID10608828,
3-(2-chloroethylamino)propoxyphosphonic Acid,
3-(2-chloroethylamino)propyl dihydrogen phosphate,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.586g/mol |
| Monoisotopic Mass | 217.027g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number