78219-03-1
3-AMINOMETHYL-5,6-DIHYDROXYPHTHALIDE HYDROBROMIDE
Name3-AMINOMETHYL-5,6-DIHYDROXYPHTHALIDE HYDROBROMIDE
1Identification
【Name】
3-AMINOMETHYL-5,6-DIHYDROXYPHTHALIDE HYDROBROMIDE
【CAS】
【MDL】
MFCD01704553
【English Synonyms】
【Formula】
C9 H9 N O4 . Br H
【MolWeight】
276.085
【Inchi】
InChI=1S/C9H9NO4.BrH/c10-3-8-4-1-6(11)7(12)2-5(4)9(13)14-8;/h1-2,8,11-12H,3,10H2;1H
【InChIKey】
InChIKey=ZOXXBHYZISKNTM-UHFFFAOYSA-N
【SMILES】
c1c2c(cc(c1O)O)C(=O)OC2CN.Br
【MOL File】
3-AMINOMETHYL-5,6-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINOMETHYL-5,6-DIHYDROXYPHTHALIDE HYDROBROMIDE.cml