{[Benzyl(methyl)amino]methylene}bis(phosphonic acid)

HCID 5276554

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Basic information

CAS: 68401-12-7
Standard SMILES: CN(Cc1ccccc1)C(P(=O)(O)O)P(=O)(O)O
InChIKey: FOXDWSGGTHOPOM-UHFFFAOYSA-N
Molecular formula: C9H15NO6P2
Average molar mass: 295.17 g/mol
Monoisotopic mass: 295.03746119

Names & identifiers

Preferred name: {[Benzyl(methyl)amino]methylene}bis(phosphonic acid)
IUPAC: [[benzyl(methyl)amino]-phosphonomethyl]phosphonic acid

Names & synonyms

68401-12-7{[Benzyl(methyl)amino]methylene}bis(phosphonic acid)CHEMBL374042DTXSID50414996NSC725601NSC-725601[(Benzyl-methyl-amino)-methylene]-1,1-bisphosphonate

Database identifiers

CAS: 68401-12-7
PubChem CID: 5276554
DTXSID: DTXSID50414996
ChEMBL: CHEMBL374042

Properties

Computed structural properties

XLogP: -3.9
Topological polar surface area: 118 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 336

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