N-methyl-3-phenoxy-propan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid

Systemtic Name: N-methyl-3-phenoxy-propan-1-amine; (1-oxidanyl-1-phosphono-propyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; N-methyl-3-phenoxy-propan-1-amine CAS Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-3-phenoxy-1-propanamine IUPAC Name: (1-hydroxy-1-phosphonopropyl)phosphonic acid; N-methyl-3-phenoxypropan-1-amine Traditional Name: (1-hydroxy-1-phosphono-propyl)phosphonic acid; methyl(3-phenoxypropyl)amine Formula: C13H25NO8P2 MolecularWeight: 385.287022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCOC1=CC=CC=C1

Isomeric SMILES

CCC(O)(P(=O)(O)O)P(=O)(O)O.CNCCCOC1=CC=CC=C1

InChI

InChI=1S/C10H15NO.C3H10O7P2/c1-11-8-5-9-12-10-6-3-2-4-7-10;1-2-3(4,11(5,6)7)12(8,9)10/h2-4,6-7,11H,5,8-9H2,1H3;4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)