1,1',1''-Phosphinylidynetris(pyrrolidine)
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Basic information
- CAS
6415-07-2- Standard SMILES
O=P(N1CCCC1)(N1CCCC1)N1CCCC1- InChIKey
GQOGEHIVQIMJMO-UHFFFAOYSA-N- Molecular formula
- C12H24N3OP
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.16569902
Names & identifiers
- Preferred name
- 1,1',1''-Phosphinylidynetris(pyrrolidine)
- IUPAC
- 1-dipyrrolidin-1-ylphosphorylpyrrolidine
- English name
- Tris(pyrrolidinophosphine) oxide
- Molecular formula
- C12H24N3OP
- Molecular weight
- 257.32
Names & synonyms
6415-07-2ALB2R4N5A51,1',1''-PhosphinylidynetrispyrrolidineDTXSID502143571,1',1''-Phosphinylidynetris(pyrrolidine)1,1',1''-Phosphinylidynetris[pyrrolidine]RefChem:1051476DTXCID50136848229-118-2Tri(pyrrolidin-1-yl)phosphine oxideTris(pyrrolidinophosphine) oxideTris(N,N-tetramethylene)phosphoric acid triamide
Show more names
TRIS(PYRROLIDINO)PHOSPHINE OXIDELABOTEST-BB LT00847654TripyrrolidinephosphoramideTripyrrolizinophosphine oxidePHOSPHORIC ACID TRIPYRROLIDIDE1,1',1''-Phosphoryltripyrrolidine
1-dipyrrolidin-1-ylphosphorylpyrrolidineTripyrrolidinophosphine oxideMFCD00014095C12H24N3OP66805-06-9Pyrrolidine, 1,1',1''-phosphinylidynetris-EINECS 229-118-2NSC221656
Database identifiers
- CAS
6415-07-2、66805-06-9- PubChem CID
- 80866
- DTXSID
DTXSID50214357- UNII
- ALB2R4N5A5
- EC Number
- 229-118-2
- Nikkaji
- J207.026J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 140 · 140-142 °C/0.1 mmHg (lit.)
- Density
- 1.12 g/mL · 1.120 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.514
- Flash point
- 113 · 113 ºC
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 6.89 · 6.89±0.20(Predicted)
- color
- Colorless to Brown
- InChI
- InChI=1S/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2
- InChIKey
- GQOGEHIVQIMJMO-UHFFFAOYSA-N
- SMILES
- P(N1CCCC1)(N1CCCC1)(N1CCCC1)=O
- CAS DataBase Reference
- 6415 · 6415-07-2(CAS DataBase Reference)
- FDA UNII
- 2 R4N5A5 · ALB2R4N5A5
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesTris(N,N-tetramethylene)phosphoric Acid Triamide is a competitive inhibitor of horse serum butyrylcholinesterase.
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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