((Heptylimino)bis(methylene))bisphosphonic acid

HCID 80097

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Basic information

CAS: 5995-30-2
Standard SMILES: CCCCCCCN(CP(=O)(O)O)CP(=O)(O)O
InChIKey: GIFYDPWFQBDXKA-UHFFFAOYSA-N
Molecular formula: C9H23NO6P2
Average molar mass: 303.23 g/mol
Monoisotopic mass: 303.10006145

Names & identifiers

Preferred name: ((Heptylimino)bis(methylene))bisphosphonic acid
IUPAC: [heptyl(phosphonomethyl)amino]methylphosphonic acid
English name: [(heptylimino)bis(methylene)]bisphosphonic acid
Molecular formula: C9H23NO6P2
Molecular weight: 303.229542

Names & synonyms

5995-30-2((Heptylimino)bis(methylene))bisphosphonic acidEINECS 227-829-25G79JS39ZNDTXSID50208655GIFYDPWFQBDXKA-UHFFFAOYSA-NNS00047019Phosphonic acid, [(heptylimino)bis(methylene)]bis-[(Heptylazanediyl)bis(methylene)]bis(phosphonic acid)[(heptylimino)bis(methylene)]bisphosphonic acid

Database identifiers

CAS: 5995-30-2
PubChem CID: 80097
DTXSID: DTXSID50208655
UNII: 5G79JS39ZN
EC Number: 227-829-2
Nikkaji: J223.935C

Properties

Computed structural properties

XLogP: -2.6
Topological polar surface area: 118 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 18
Formal charge: 0
Complexity: 288

Chemistry & industry

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陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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