5369-84-6
3-AMINO-4-(2-(2,6-XYLYLOXY)ETHYL)-4H-1,2,4-TRIAZOLE
Name3-AMINO-4-(2-(2,6-XYLYLOXY)ETHYL)-4H-1,2,4-TRIAZOLE
1Identification
【Name】
3-AMINO-4-(2-(2,6-XYLYLOXY)ETHYL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01750662
【English Synonyms】
【Formula】
C10 H7 N3 O2
【MolWeight】
201.184
【Inchi】
InChI=1S/C10H7N3O2/c1-3-7(14-5-1)9-11-10(13-12-9)8-4-2-6-15-8/h1-6H,(H,11,12,13)
【InChIKey】
InChIKey=BJDFIGVZNYHRMP-UHFFFAOYSA-N
【SMILES】
c1cc(oc1)c2[nH]nc(n2)c3ccco3
【MOL File】
3-AMINO-4-(2-(2,6-XY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-4-(2-(2,6-XYLYLOXY)ETHYL)-4H-1,2,4-TRIAZOLE.cml