| CAS Number | 37979-67-2 |
| Catalog Number | AG0076RM(AGN-PC-0RF3VG) |
| Chemical Name | Propanoic acid,3-[[amino[bis(2-chloroethyl)amino]phosphinyl]oxy]-, phenylmethyl ester |
| IUPAC Name | benzyl 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoate |
| InChI | InChI=1S/C14H21Cl2N2O4P/c15-7-9-18(10-8-16)23(17,20)22-11-6-14(19)21-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,17,20) |
| InChI Key | URRQYEVJTAKGKS-UHFFFAOYSA-N |
| MDL Number | MFCD18382220 |
| Molecular Formula | C14H21Cl2N2O4P |
| Molecular Weight | 383.2073 |
| NSC Number | 236628 |
| SMILES | NP(=O)(OCCC(=O)OCc1ccccc1)N(CCCl)CCCl |
| Synonyms | Carboxyphosphamide Benzyl Ester,
37979-67-2,
Propanoic acid,3-[[amino[bis(2-chloroethyl)amino]phosphinyl]oxy]-, phenylmethyl ester,
NSC236628,
AC1L7QQ3,
CTK4H9093,
DTXSID10311053,
AKOS030242031,
NSC-236628,
ACM37979672,
FT-0664361,
Benzyl 3-({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)propanoate,
benzyl 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoate,
3-[[Amino[bis(2-chloroethyl)amino]phosphinyl]oxy]propanoic Acid Benzyl Ester,
3-[[Amino[bis(2-chloroethyl)amino]phosphinyl]oxy]propanoic Acid Phenylmethyl Ester,
URRQYEVJTAKGKS-UHFFFAOYSA-N,
CID314986,
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| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.206g/mol |
| Monoisotopic Mass | 382.062g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number