carbonic acid; 2-[(2-methylimidazol-1-yl)methyl]aniline; hydrate

Systemtic Name: carbonic acid; 2-[(2-methylimidazol-1-yl)methyl]aniline; hydrate Openeye Name: carbonic acid; 2-[(2-methylimidazol-1-yl)methyl]aniline; hydrate CAS Name: carbonic acid; 2-[(2-methyl-1-imidazolyl)methyl]aniline; hydrate IUPAC Name: carbonic acid; 2-[(2-methylimidazol-1-yl)methyl]aniline; hydrate Traditional Name: carbonic acid; [2-[(2-methylimidazol-1-yl)methyl]phenyl]amine; hydrate Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=CC=C2N.C(=O)(O)O.O

Isomeric SMILES

CC1=NC=CN1CC2=CC=CC=C2N.C(=O)(O)O.O

InChI

InChI=1S/C11H13N3.CH2O3.H2O/c1-9-13-6-7-14(9)8-10-4-2-3-5-11(10)12;2-1(3)4;/h2-7H,8,12H2,1H3;(H2,2,3,4);1H2