| CAS Number | 22089-17-4 |
| Catalog Number | AG007PTL(AGN-PC-0QYO42) |
| Chemical Name | 2-(Bis(2-chloroethyl)amino)-3-methyl-1,3,2-oxazaphosphinane 2-oxide |
| IUPAC Name | 1-(2-chloroethyl)-3-(2-methoxy-6-methylphenyl)urea |
| InChI | InChI=1S/C11H15ClN2O2/c1-8-4-3-5-9(16-2)10(8)14-11(15)13-7-6-12/h3-5H,6-7H2,1-2H3,(H2,13,14,15) |
| InChI Key | PSYZOOOPACOKKZ-UHFFFAOYSA-N |
| MDL Number | MFCD01710187 |
| Molecular Formula | C8H17Cl2N2O2P |
| Molecular Weight | 275.1125 |
| NSC Number | 162153 |
| SMILES | O=P1(OCCCN1C)N(CCCl)CCCl |
| Synonyms | 1-(2-Chloroethyl)-3-(2-methoxy-6-methylphenyl)urea,
22089-17-4,
Urea, 1-(2-chloroethyl)-3-(2-methoxy-o-tolyl)-,
NSC 162153,
21561-19-3,
NSC162153,
N-Methyl Cyclophosphamide,
AC1L40DG,
AC1Q3V6J,
SCHEMBL6689839,
CTK8D7370,
DTXSID50175898,
ZINC1623542,
AKOS030254793,
NSC-162153,
LS-159438,
KST-1B1794,
CID98718,
AR-1B0545,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.703g/mol |
| Monoisotopic Mass | 242.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number