2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile

Properties Image MNX_ID MNXM46777 reference chebi:91807 formula C12H17N3O global charge 0 mol weight 219.288 InChIKey BUXRLJCGHZZYNE-UHFFFAOYSA-N InChI InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3 SMILES CC(C)NCC(O)C1=CC(C#N)=C(N)C=C1 MNX internals InChI (mnx) InChI=1/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3/t12? SMILES (mnx) [CH3:1][CH:8]([CH3:2])[NH:15][CH2:7][CH:12]([C:9]1=[CH:5][C:10]([C:6]#[N:13])=[C:11]([NH2:14])[CH:4]=[CH:3]1)[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0