Grundinformationen
- Standard-SMILES
CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C- InChIKey
IOIMDJXKIMCMIG-UHFFFAOYSA-N- Summenformel
- C12H32N4O3P2
- Durchschnittliche Molmasse
- 342,36 g/mol
- Monoisotopische Masse
- 342,19496414
Überblick
Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- is a phosphoramide.
Namen und Bezeichner
- Bevorzugter Name
- iso-OMPA
- IUPAC
- N-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
- Lokaler Name
- N,N',N'',N'''-Tetraisopropyldiphosphoramid
- Englischer Name
- ISO-OMPA
- Summenformel
- C12H32N4O3P2
- Molmasse
- 342.36
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
513-00-8- PubChem CID
- 5420
- DTXSID
DTXSID00965589- ChEMBL
CHEMBL494887- ChEBI
CHEBI:182475- UNII
- QMD29784VE
- EC Number
- 208-149-5
- Nikkaji
- J10.341A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 91,5 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 336
Physikochemische Eigenschaften
- Schmelzpunkt
- 151 °C · 151 °C(Solv: acetone (67-64-1))
- Siedepunkt
- 396.7 · 396.7±25.0 °C(Predicted)
- Dichte
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.22 · 1.22±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- Biologische Quelle
- 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 chemische Informationen
- Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- (513-00-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 1
- risk_code
- 26/27/28
- hazard_code
- T+
- safety_code
- 22-36/37/39-45
- Speicherklasse
- 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
Anwendungen
VerwendenTetraisopropyl pyrophosphoramide has been used:as a butyrylcholinesterase inhibitor to determine the proportions of butyrylcholinesterase (BChE) in cat and tiger plasmato inhibit wild-type BChE in acetylcholinesterase assayto selectively block the enzymatic activity of AChE
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