| CAS Number | 720707-93-7 |
| Catalog Number | AG00IC82 |
| Chemical Name | [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester |
| IUPAC Name | N,N'-bis(diethoxyphosphoryl)butane-1,4-diamine |
| InChI | InChI=1S/C12H30N2O6P2/c1-5-17-21(15,18-6-2)13-11-9-10-12-14-22(16,19-7-3)20-8-4/h5-12H2,1-4H3,(H,13,15)(H,14,16) |
| InChI Key | NACGKSLVMQECFV-UHFFFAOYSA-N |
| MDL Number | MFCD25424110 |
| Molecular Formula | C12H30N2O6P2 |
| Molecular Weight | 360.3239 |
| SMILES | CCOP(=O)(OCC)NCCCCNP(=O)(OCC)OCC |
| Synonyms | [4-(Diethoxy-phosphorylamino)-butyl]-phosphoramidic acid diethyl ester,
720707-93-7,
ZINC36399289,
BP-21722,
CID11739889,
N,N'-bis(diethoxyphosphoryl)butane-1,4-diamine,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.328g/mol |
| Monoisotopic Mass | 360.158g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number