((Tetradecylimino)bis(methylene))diphosphonic acid

HCID 80100

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Basic information

CAS: 5995-34-6
Standard SMILES: CCCCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O
InChIKey: ANMMXBKZQYAUII-UHFFFAOYSA-N
Molecular formula: C16H37NO6P2
Average molar mass: 401.42 g/mol
Monoisotopic mass: 401.2096119

Names & identifiers

Preferred name: ((Tetradecylimino)bis(methylene))diphosphonic acid
IUPAC: [phosphonomethyl(tetradecyl)amino]methylphosphonic acid
English name: [(tetradecylimino)bis(methylene)]diphosphonic acid
Molecular formula: C16H37NO6P2
Molecular weight: 401.415602

Names & synonyms

((Tetradecylimino)bis(methylene))diphosphonic acid5995-34-6EINECS 227-832-9HT9W7X8KKVDTXSID70208657ANMMXBKZQYAUII-UHFFFAOYSA-NNS00082764[(Tetradecylazanediyl)bis(methylene)]bis(phosphonic acid)P,P'-[(Tetradecylimino)bis(methylene)]bis[phosphonic acid]Phosphonic acid, P,P'-[(tetradecylimino)bis(methylene)]bis-Tetradecyliminobismethylenebisphosphonic acid[(tetradecylimino)bis(methylene)]diphosphonic acid

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[(Tetradecylimino)bis(methylene)]bisphosphonic acid

Database identifiers

CAS: 5995-34-6
PubChem CID: 80100
DTXSID: DTXSID70208657
UNII: HT9W7X8KKV
EC Number: 227-832-9
Nikkaji: J223.938H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 118 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 17
Heavy atoms: 25
Formal charge: 0
Complexity: 385

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