40951-24-4
P-(1-AZIRIDINYL)-N-(2-NICOTINOYLETHYL)PHOSPHONAMIDIC ACID P-PHENYLENE ESTER
NameP-(1-AZIRIDINYL)-N-(2-NICOTINOYLETHYL)PHOSPHONAMIDIC ACID P-PHENYLENE ESTER
1Identification
【Name】
P-(1-AZIRIDINYL)-N-(2-NICOTINOYLETHYL)PHOSPHONAMIDIC ACID P-PHENYLENE ESTER
【CAS】
【MDL】
MFCD01706394
【English Synonyms】
【Formula】
C26 H30 N6 O6 P2
【MolWeight】
584.507
【Inchi】
InChI=1S/C26H30N6O6P2/c33-25(21-3-1-11-27-19-21)9-13-29-39(35,31-15-16-31)37-23-5-7-24(8-6-23)38-40(36,32-17-18-32)30-14-10-26(34)22-4-2-12-28-20-22/h1-8,11-12,19-20H,9-10,13-18H2,(H,29,35)(H,30,36)
【InChIKey】
InChIKey=YDCLNXKATWIFOF-UHFFFAOYSA-N
【SMILES】
c1cc(cnc1)C(=O)CCNP(=O)(N2CC2)Oc3ccc(cc3)OP(=O)(NCCC(=O)c4cccnc4)N5CC5
【MOL File】
P-(1-AZIRIDINYL)-N-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
P-(1-AZIRIDINYL)-N-(2-NICOTINOYLETHYL)PHOSPHONAMIDIC ACID P-PHENYLENE ESTER.cml