| Identification | |
| Name: | Phosphorodiamidic acid,N,N'-bis(2-chloroethyl)- |
| Synonyms: | Ifosfamide mustard;Isophosphoramide mustard;N,N'-Di(2-chloroethyl)phosphorodiamidic acid;N1,N2-Bis(2-chloroethyl)phosphoricacid diamide;NSC 297900;Palifosfamide;ZIO 201; |
| CAS: | 31645-39-3 |
| Molecular Formula: | C4H11Cl2N2O2P |
| Molecular Weight: | 221.02 |
| InChI: | InChI=1/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10) |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 106-107 ºC |
| Density: | 1.411 |
| Refractive index: | 1.497 |
| Specification: |
The Palifosfamide with the CAS number 31645-39-3 is also called Phosphorodiamidic acid,N,N'-bis(2-chloroethyl)-. The IUPAC name is bis(2-chloroethylamino)phosphinic acid. Its molecular formula is C4H11Cl2N2O2P. This chemical belongs to the following classification codes: (1)Alkylating Agents ; (2)Antineoplastic ; (3)Antineoplastic Agents ; (4)Antineoplastic agents, alkylating ; (5)Noxae. It is antitumor metabolite of ifosfamide. The properties of the Palifosfamide are: (1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -3.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.59 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 45.87 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Enthalpy of Vaporization: 64.31 kJ/mol; (19)Vapour Pressure: 1.45×10-5 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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