58979-46-7
N-[5-(DIETHYLAMINO)-2-[(3,5-DINITRO-2-THIENYL)AZO]PHENYL]ACETAMIDE
NameN-[5-(DIETHYLAMINO)-2-[(3,5-DINITRO-2-THIENYL)AZO]PHENYL]ACETAMIDE
1Identification
【Name】
N-[5-(DIETHYLAMINO)-2-[(3,5-DINITRO-2-THIENYL)AZO]PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD18974811
【English Synonyms】
【Formula】
C16 H18 N6 O5 S
【MolWeight】
406.421
【Inchi】
InChI=1S/C16H18N6O5S/c1-4-20(5-2)11-6-7-12(13(8-11)17-10(3)23)18-19-16-14(21(24)25)9-15(28-16)22(26)27/h6-9H,4-5H2,1-3H3,(H,17,23)/b19-18+
【InChIKey】
InChIKey=KRGRZKUNEOEXJG-VHEBQXMUSA-N
【SMILES】
CCN(CC)c1ccc(c(c1)NC(=O)C)/N=N/c2c(cc(s2)[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
N-[5-(DIETHYLAMINO)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:11
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[5-(DIETHYLAMINO)-2-[(3,5-DINITRO-2-THIENYL)AZO]PHENYL]ACETAMIDE.cml