P,P',P'',P'''-(((Phosphonomethyl)imino)bis(6,1-hexanediylnitrilobis(methylene)))tetrakisphosphonic acid

C₁₇H₄₄N₃O₁₅P₅CAS 34690-00-1685.41 g/mol

Open in Covalent MOL file

Phosphonate Tertiary amine

Properties

Molecular formula: C₁₇H₄₄N₃O₁₅P₅
Molar mass: 685.41 g/mol
Exact mass: 685.1461 Da
logP: 0.69Crippen estimate
Polar surface area: 297.4 Å²
H-bond donors / acceptors: 10 / 8
Rotatable bonds: 24

Hazards

Danger

H314 Causes severe skin burns and eye damage76.3% of notifiers
H318 Causes serious eye damage11.9% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

34690-00-1

SMILES

O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O

InChIKey

YWMWZKYVGNWJPU-UHFFFAOYSA-N

InChI

InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)

Weigh it out

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

Names and synonyms

13 names · show all

P,P′,P′′,P′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]
Phosphonic acid, P,P′,P′′,P′′′-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-
Phosphonic acid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-
Triaminodihexylenepentakis(methylenephosphonic acid)
Unihib 1704
Lonza 1704
(Dihexyltriaminepenta(methylenephosphonic acid))
Briquest 5123-45A
Bis(hexamethylenetriamine)penta(methylenephosphonic acid)
Dihexamethylenetriaminepentakis(methylenephosphonic acid)
Dequest 2090
BHTPMP
N-(6-Aminohexyl)-1,6-hexanediamine penta(methylene phosphonic acid)

Work with P,P',P'',P'''-(((Phosphonomethyl)imino)bis(6,1-hexanediylnitrilobis(methylene)))tetrakisphosphonic 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

Hexanediaminetetra(methylenephosphonic acid)23605-74-595 % similar DTPMP15827-60-877 % similar EDTMP1429-50-173 % similar ATMP6419-19-864 % similar Dequest 206622042-96-252 % similar Sodium (ethylenediamine)tetramethylenephosphonate22036-77-748 % similar Polaris2439-99-845 % similar N-(Phosphonomethyl)iminodiacetic acid5994-61-645 % similar

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

Elsewhere

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