Basic information
- Standard SMILES
CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C- InChIKey
IOIMDJXKIMCMIG-UHFFFAOYSA-N- Molecular formula
- C12H32N4O3P2
- Average molar mass
- 342.36 g/mol
- Monoisotopic mass
- 342.19496414
Overview
Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- is a phosphoramide.
Names & identifiers
- Preferred name
- iso-OMPA
- IUPAC
- N-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
- English name
- ISO-OMPA
- Molecular formula
- C12H32N4O3P2
- Molecular weight
- 342.36
Names & synonyms
Show more names
Database identifiers
- CAS
513-00-8- PubChem CID
- 5420
- DTXSID
DTXSID00965589- ChEMBL
CHEMBL494887- ChEBI
CHEBI:182475- UNII
- QMD29784VE
- EC Number
- 208-149-5
- Nikkaji
- J10.341A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 151 °C · 151 °C(Solv: acetone (67-64-1))
- Boiling point
- 396.7 · 396.7±25.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.22 · 1.22±0.70(Predicted)
- form
- Solid
- 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)
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330
- Precautionary statements
- 260 · P260-P262-P264-P280-P302+P352+P310-P304+P340+P310
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28
- Safety Statements
- 22 · 22-36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 1
- WGK Germany
- 3 · 3
- Storage Class
- 6.1 B · 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 1 InhalationAcute · Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
Safety & regulation
GHS classification
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.
Hazard information
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 1
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 22-36/37/39-45
- Storage Class
- 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300+H310+H330
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
- Precautionary statements
- P260-P262-P264-P280-P302+P352+P310-P304+P340+P310
Chemistry & industry
Pharmacology
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.
Applications
UsesTetraisopropyl 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
Suppliers22 total
Additional notes
DefinitionChEBI: Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- is a phosphoramide.
Related reactions
No reaction records under the current filter.
Linked notes
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