3-(4-aminophenyl)propane-1,2-diamine; 4-phosphonobutylphosphonic acid

Systemtic Name: 3-(4-aminophenyl)propane-1,2-diamine; 4-phosphonobutylphosphonic acid Openeye Name: 3-(4-aminophenyl)propane-1,2-diamine; 4-phosphonobutylphosphonic acid CAS Name: 3-(4-aminophenyl)propane-1,2-diamine; 4-phosphonobutylphosphonic acid IUPAC Name: 3-(4-aminophenyl)propane-1,2-diamine; 4-phosphonobutylphosphonic acid Traditional Name: [2-amino-1-(4-aminobenzyl)ethyl]amine; 4-phosphonobutylphosphonic acid Formula: C13H27N3O6P2 MolecularWeight: 383.317502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN)N)N.C(CCP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CC(CN)N)N.C(CCP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C9H15N3.C4H12O6P2/c10-6-9(12)5-7-1-3-8(11)4-2-7;5-11(6,7)3-1-2-4-12(8,9)10/h1-4,9H,5-6,10-12H2;1-4H2,(H2,5,6,7)(H2,8,9,10)