765285-35-6
(2-(((3-(4-(DIMETHYLAMINO)PH)-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID
Name(2-(((3-(4-(DIMETHYLAMINO)PH)-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID
1Identification
【Name】
(2-(((3-(4-(DIMETHYLAMINO)PH)-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID
【CAS】
【MDL】
MFCD05154691
【English Synonyms】
【Formula】
C19 H19 N5 O3
【MolWeight】
365.391
【Inchi】
InChI=1S/C19H19N5O3/c1-23(2)16-9-7-14(8-10-16)19-22-20-13-24(19)21-11-15-5-3-4-6-17(15)27-12-18(25)26/h3-11,13H,12H2,1-2H3,(H,25,26)/b21-11+
【InChIKey】
InChIKey=PXKPLGZOMZYJIG-SRZZPIQSSA-N
【SMILES】
CN(C)c1ccc(cc1)c2nncn2/N=C/c3ccccc3OCC(=O)O
【MOL File】
(2-(((3-(4-(DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-(((3-(4-(DIMETHYLAMINO)PH)-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOXY)ACETIC ACID.cml