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513-00-8

513-00-8 Structure

513-00-8 Structure
IdentificationBack Directory
[Name]

ISO-OMPA
[CAS]

513-00-8
[Synonyms]

DPDA
ISO-OMPA
Dipropyldiphosphoramide
tetraisopropylpyrophosphamide
TETRAISOPROPYL PYROPHOS-PHORAMIDE
Tetraisopropylpyrophosphoramide,~96%
TETRA[MONOISOPROPYL]-PYROPHOSPHORTETRAMIDE
Oxybis[bis(isopropylamino)phosphine oxide]
N,N',N'',N'''-tetraisopropyldiphosphoramide
Diphosphoramide, N,N,N,N-tetrakis(1-methylethyl)-
iso-OMPA, Tetra(monoisopropyl)pyrophosphortetramide
Tetraisopropyl pyrophosphoramide butyrylcholinesterase inhibitor
[bis(isopropylamino)phosphoryloxy-(isopropylamino)phosphoryl]-isopropyl-amine
N-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
Tetraisopropyl pyrophosphoramide,Tetra(monoisopropyl)pyrophosphortetramide, iso-OMPA
[EINECS(EC#)]

208-149-5
[Molecular Formula]

C12H32N4O3P2
[MDL Number]

MFCD00048272
[MOL File]

513-00-8.mol
[Molecular Weight]

342.36
Chemical PropertiesBack Directory
[Melting point ]

151 °C(Solv: acetone (67-64-1))
[Boiling point ]

396.7±25.0 °C(Predicted)
[density ]

1.076±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[form ]

Solid
[pka]

1.22±0.70(Predicted)
[color ]

White to off-white
[biological source]

synthetic
[InChI]

1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
[InChIKey]

IOIMDJXKIMCMIG-UHFFFAOYSA-N
[SMILES]

CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C
[EPA Substance Registry System]

Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- (513-00-8)
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

26/27/28
[Safety Statements ]

22-36/37/39-45
[RIDADR ]

UN 2811 6.1/PG 1
[WGK Germany ]

3
[Storage Class]

6.1B - Non-combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 1 Inhalation
Acute Tox. 2 Dermal
Acute Tox. 2 Oral
Hazard InformationBack Directory
[Uses]

Tetraisopropyl pyrophosphoramide has been used:
  • as a butyrylcholinesterase inhibitor to determine the proportions of butyrylcholinesterase (BChE) in cat and tiger plasma
  • to inhibit wild-type BChE in acetylcholinesterase assay
  • to selectively block the enzymatic activity of AChE

[Definition]

ChEBI: Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- is a phosphoramide.
[Biochem/physiol Actions]

Selective inhibitor of butyrylcholinesterase
[in vivo]

Iso-OMPA (0.6-1.9 mg/kg, subcutaneous injection, single dose) enhances soman toxicity in rats but has no effect on mice[3].

Animal Model:Mouse and rat[3]
Dosage:0.6, 1.9 mg/kg; single dose
Administration:Subcutaneous injection (s.c.)
Result:Caused rat plasma CarbE activity to be only slightly inhibited by lower doses and significantly inhibited by higher doses. CarbE activity in mice was not inhibited.
[IC 50]

BuChE
Spectrum DetailBack Directory
[Spectrum Detail]

ISO-OMPA(513-00-8)1HNMR
ISO-OMPA(513-00-8)13CNMR
ISO-OMPA(513-00-8)IR1
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