4-(2-azanylethyl)aniline; diphosphono hydrogen phosphate

Systemtic Name: 4-(2-azanylethyl)aniline; diphosphono hydrogen phosphate Openeye Name: 4-(2-aminoethyl)aniline; diphosphono hydrogen phosphate CAS Name: 4-(2-aminoethyl)aniline; diphosphono hydrogen phosphate IUPAC Name: 4-(2-aminoethyl)aniline; diphosphono hydrogen phosphate Traditional Name: [4-(2-aminoethyl)phenyl]amine; diphosphono hydrogen phosphate Formula: C8H17N2O10P3 MolecularWeight: 394.149263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CCN)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H12N2.H5O10P3/c9-6-5-7-1-3-8(10)4-2-7;1-11(2,3)9-13(7,8)10-12(4,5)6/h1-4H,5-6,9-10H2;(H,7,8)(H2,1,2,3)(H2,4,5,6)