(6-Amino-1-hydroxy-1,1-hexanediyl)bis(phosphonic acid) | CAS No. 79778-41-9

(6-Amino-1-hydroxy-1,1-hexanediyl)bis(phosphonic acid)

Basic Information

CAS Number

79778-41-9

Molecular Formula

C6H17NO7P2

Molecular Weight

277.15 g/mol

AD

Basic Physical Properties

Melting Point

245°

Boiling Point

600.1±65.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Flash Point

316.7±34.3 °C

Solubility

H2O: 8 mg/mL, soluble

Vapor Pressure

0.0±3.9 mmHg at 25°C

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN

InChI

InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)

InChIKey

PUUSSSIBPPTKTP-UHFFFAOYSA-N

LogP

-0.4930000000000005

Topological Polar Surface Area

161.31 Ų

Hydrogen Bond Donor/Acceptor

7 / 8

Complexity

286

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Acide neridronique
  • UNII-8U27U3RIN4
  • AKOS024462874
  • (6-amino-1-hydroxy-1-phosphono-hexyl)phosphonic acid
  • 79778-41-9
  • Acido neridronico [INN-Spanish]
  • 6-amino-1-hydroxyhexane-1,1-diyldiphosphonic acid
  • MFCD00866995
  • Neridronic acid [INN]
  • (6-Amino-1-hydroxyhexylidene)diphosphonic acid
  • SR-01000945018-1
  • Neridronic acid
  • BDBM50098383
  • (6-Amino-1-hydroxyhexane-1,1-diyl)diphosphonic acid
  • W-203821
  • CHEMBL55214
  • Q1651770
  • (6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid
  • 6-Hydroxy-6,6-bis-phosphono-hexyl-ammonium
  • Acidum neridronicum
  • DTXSID40868545
  • Acido neridronico
  • 6-Amino-1-hydroxyhexane-1,1-diphosphonate
  • NERIDRONIC ACID [WHO-DD]
  • 6-aminohexane-1-hydroxy-1,1-bisphosphonate
  • AHHexBP
  • (6-Amino-1-hydroxy-1-phosphono-hexyl)-phosphonic acid
  • SR-01000945018
  • (6-Amino-1-hydroxyhexane-1,1-diyl)bis(phosphonic acid)
  • Phosphonic acid, (6-amino-1-hydroxyhexylidene)bis-
  • NRD

MDL Number

MFCD00866995

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