[4-(2-methylimidazol-1-yl)phenyl]methanamine hydrate

Systemtic Name: [4-(2-methylimidazol-1-yl)phenyl]methanamine hydrate Openeye Name: [4-(2-methylimidazol-1-yl)phenyl]methanamine hydrate CAS Name: [4-(2-methyl-1-imidazolyl)phenyl]methanamine hydrate IUPAC Name: [4-(2-methylimidazol-1-yl)phenyl]methanamine hydrate Traditional Name: [4-(2-methylimidazol-1-yl)benzyl]amine hydrate Formula: C11H15N3O MolecularWeight: 205.2563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)CN.O

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CN.O

InChI

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