chempirical

Hexanediaminetetra(methylenephosphonic acid)

C10H28N2O12P4CAS 23605-74-5492.23 g/mol

Open in Covalent MOL file
OPOHHONNPOHOOHPOOHOHPOHOHO
PhosphonateTertiary amine

Properties

Molecular formula
C10H28N2O12P4
Molar mass
492.23 g/mol
Exact mass
492.0593 Da
Melting point
242 °C
logP
-0.31Crippen estimate
Polar surface area
236.6 Ų
H-bond donors / acceptors
8 / 6
Rotatable bonds
15

Identifiers

CAS number
23605-74-5
SMILES
O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChIKey
KIDJHPQACZGFTI-UHFFFAOYSA-N
InChI
InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Phosphonic acid, P,P′,P′′,P′′′-[1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-
  • Hexamethylenedinitrilotetrakis(methylphosphonic acid)
  • HDTMPA
  • Phosphonic acid, [hexamethylenebis(nitrilodimethylene)]tetra-
  • Phosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-
  • P,P′,P′′,P′′′-[1,6-Hexanediylbis[nitrilobis(methylene)]]tetrakis[phosphonic acid]
  • N,N,N′,N′-Hexamethylenediaminetetra(methylenephosphonic acid)
  • (Hexamethylenedinitrilo)tetrakis[methylenephosphonic acid]
  • 1,6-Hexanediaminetetrakis(methylene phosphonic acid)
  • Dequest 2051
  • HDTMP
  • N,N,N′,N′-1,6-Hexamethylenediaminetetrakis(methylenephosphonic acid)
  • Briquest 462

Work with Hexanediaminetetra(methylenephosphonic acid)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

P,P′,P′′,P′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]34690-00-195 % similar Edtmp1429-50-176 % similar Dtpmp15827-60-873 % similar Sodium (ethylenediamine)tetramethylenephosphonate22036-77-750 % similar Dequest 206622042-96-248 % similar Polaris2439-99-847 % similar N-(Phosphonomethyl)iminodiacetic acid5994-61-647 % similar Medronic acid1984-15-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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