((Propylimino)bis(methylene))diphosphonic acid

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Basic information

CAS: 5995-27-7
Standard SMILES: CCCN(CP(=O)(O)O)CP(=O)(O)O
InChIKey: HSEVIBLFMJQZMK-UHFFFAOYSA-N
Molecular formula: C5H15NO6P2
Average molar mass: 247.12 g/mol
Monoisotopic mass: 247.03746119

Names & identifiers

Preferred name: ((Propylimino)bis(methylene))diphosphonic acid
IUPAC: [phosphonomethyl(propyl)amino]methylphosphonic acid
English name: [(propylimino)bis(methylene)]diphosphonic acid
Molecular formula: C5H15NO6P2
Molecular weight: 247.123222

Names & synonyms

((Propylimino)bis(methylene))diphosphonic acid5995-27-7PR8HV42XTWSCHEMBL10647863DTXSID10975371HSEVIBLFMJQZMK-UHFFFAOYSA-NBDBM233153EINECS 227-826-6NS00047557N-Propyliminobis(methylenephosphonic acid) (3)[(Propylazanediyl)bis(methylene)]bis(phosphonic acid)P,P'-[(Propylimino)bis(methylene)]bis[phosphonic acid]

Show more names

Propyliminobismethylenebis(phosphonic acid)[(propylimino)bis(methylene)]diphosphonic acid[(Propylimino)bis(methylene)]bisphosphonic acid

Phosphonic acid, P,P'-[(propylimino)bis(methylene)]bis-

Database identifiers

CAS: 5995-27-7
PubChem CID: 80094
DTXSID: DTXSID10975371
UNII: PR8HV42XTW
EC Number: 227-826-6
Nikkaji: J223.932I

Properties

Computed structural properties

XLogP: -4.6
Topological polar surface area: 118 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 233

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Compound notes

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