| CAS Number | 53948-46-2 |
| Catalog Number | AG00DDEM(AGN-PC-0SG602) |
| Chemical Name | Hydroxy cyclophosphaMide SeMicarbazone |
| IUPAC Name | [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea |
| InChI | InChI=1S/C8H18Cl2N5O3P/c9-2-5-15(6-3-10)19(12,17)18-7-1-4-13-14-8(11)16/h4H,1-3,5-7H2,(H2,12,17)(H3,11,14,16)/b13-4+ |
| InChI Key | DDSWASMKEIRTLV-YIXHJXPBSA-N |
| MDL Number | MFCD28143317 |
| Molecular Formula | C8H18Cl2N5O3P |
| Molecular Weight | 334.1400 |
| NSC Number | 319519 |
| SMILES | O=P(N(CCCl)CCCl)(N)OCC/C=N/NC(N)=O |
| Synonyms | NSC319519,
53948-46-2,
[(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]urea,
AC1L773S,
DTXSID50317635,
NSC-319519,
DDSWASMKEIRTLV-YIXHJXPBSA-N,
CID330552,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 333.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.138g/mol |
| Monoisotopic Mass | 333.052g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number