N2-(2-azanylpropyl)propane-1,2-diamine; phosphonomethylphosphonic acid

Systemtic Name: N2-(2-azanylpropyl)propane-1,2-diamine; phosphonomethylphosphonic acid Openeye Name: N2-(2-aminopropyl)propane-1,2-diamine; phosphonomethylphosphonic acid CAS Name: N2-(2-aminopropyl)propane-1,2-diamine; phosphonomethylphosphonic acid IUPAC Name: 2-N-(2-aminopropyl)propane-1,2-diamine; phosphonomethylphosphonic acid Traditional Name: (2-amino-1-methyl-ethyl)-(2-aminopropyl)amine; phosphonomethylphosphonic acid Formula: C11H47N3O30P10 MolecularWeight: 1011.23059

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)NCC(C)N.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(CN)NCC(C)N.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H17N3.5CH6O6P2/c1-5(8)4-9-6(2)3-7;5*2-8(3,4)1-9(5,6)7/h5-6,9H,3-4,7-8H2,1-2H3;5*1H2,(H2,2,3,4)(H2,5,6,7)