Basic information
- CAS
175845-21-3- Standard SMILES
CC(C)N1CCN2CCN(C(C)C)P1N(C(C)C)CC2- InChIKey
DFRWCJYSXGNOFD-UHFFFAOYSA-N- Molecular formula
- C15H33N4P
- Average molar mass
- 300.42 g/mol
- Monoisotopic mass
- 300.24428369
Names & identifiers
- Preferred name
- 2,8,9-Triisopropyl-2,5,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane
- IUPAC
- 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
- English name
- 2,8,9-Tri-I-propyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane
- Molecular formula
- C15H33N4P
- Molecular weight
- 300.42
Names & synonyms
175845-21-32,8,9-Triisopropyl-2,5,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane2,8,9-Tri-I-Propyl-2,5,8,9-Tetraaza-1-Phosphabicyclo[3.3.3]UndecaneMFCD037015302,5,8,9-Tetraaza-1-phosphabicyclo[3.3.3]undecane, 2,8,9-tris(1-methylethyl)-2,8,9-TRIISOPROPYL-2,5,8,9-TETRAAZA-1-PHOSPHABICYCLO[3.3.3]UNDECANE2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecaneDFRWCJYSXGNOFD-UHFFFAOYSA-N[2,5,8,9-Tetraaza-1-phosphabicyclo[3.3.3]undecane-2,8,9-tris(1-methylethyl)]SCHEMBL244329C15H33N4PDTXSID70408791
Show more names
2,8,9-TRIISOPROPYL-2,5,8,9-TETRAZA-1-PH&2,8,9-TRIISOPROPYL-2,5,8,9-TETRAAZA-1-P&4,6,11-tri(propan-2-yl)-1,4,6,11-tetraza-5-phosphabicyclo[3.3.3]undecane2,5,8,9-TETRAAZA-1-PHOSPHABICYCLO[3.3.3]UNDECANE,2,8,9-TRIS(1-METHYLETHYL)2,8,9-Tris(1-methylethyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane2,8,9-triisopropyl-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane solution
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 351.4 · 351.4±41.0 °C(Predicted)
- Density
- 0.922 g/mL · 0.922 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4830(lit.)
- Flash point
- 46 °F · 46 °F
- form
- liquid
- pka
- 9.37 · 9.37±0.20(Predicted)
- color
- yellow
- Specific Gravity
- 0.922 · 0.922
- Sensitive
- moisture sensitive
- InChI
- 1S/C15H33N4P/c1-13(2)17-10-7-16-8-11-18(14(3)4)20(17)19(12-9-16)15(5)6/h13-15H,7-12H2,1-6H3
- InChIKey
- DFRWCJYSXGNOFD-UHFFFAOYSA-N
- SMILES
- CC(C)N1CCN2CCN(C(C)C)P1N(CC2)C(C)C
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- UN 1294 3/PG 2
- risk_code
- 11-38-48/20-63-65-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xn
- safety_code
- 36/37-62-24/25-16
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H225-H304-H315-H336-H361d-H373
- Precautionary statements
- P210-P261-P281-P301+P310-P331
Chemistry & industry
Applications
UsesBase used in an attempt to produce higherly reactive no-carrier-added fluoride for labeling of radiopharmaceuticals and used in the synthesis of monomeric alumatranesDeprotonation agent used to study the nucleophilic reactivities of benzenesulfonyl-substituted carbanionsCatalyst involved in: Synthesis of polymer-supported proazaphosphatranes for catalysis of amidation and transesterification reactionsWadsworth-Emmons reactionsMukaiyama aldol reactionsSynthesis of aryl alcohols via addition reactions
Suppliers13 total
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
濮阳惠成新材料产业技术研究院有限公司15039333257
Puyang Huicheng Electronic Materials Co., Ltd.+86-0393-+86-0393-8910800 +86-15839383373 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.
Related reactions
3 records
Compound notes
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