Basic information
- CAS
195372-04-4- Standard SMILES
CCN(CC)C(=O)CP(=O)(OCC(C)(C)CC(C)C)OCC(C)(C)CC(C)C- InChIKey
SFDQTTRZERGJCY-UHFFFAOYSA-N- Molecular formula
- C22H46NO4P
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.31644595
Names & identifiers
- Preferred name
- Bis(2,2,4-trimethylpentyl) (2-(diethylamino)-2-oxoethyl)phosphonate
- IUPAC
- 2-[bis(2,2,4-trimethylpentoxy)phosphoryl]-N,N-diethylacetamide
- English name
- Bis(2,2,4-trimethylpentyl) (N,N-diethylcarbamoylmethyl)phosphonate
- Molecular formula
- C22H46NO4P
- Molecular weight
- 419.58
Names & synonyms
195372-04-4Bis(2,2,4-trimethylpentyl) (2-(diethylamino)-2-oxoethyl)phosphonateSCHEMBL41973280AKOS024433980bis(2,2,4-trimethylpentyl) 2-(diethylamino)-2-oxoethylphosphonateBis(2,2,4-trimethylpentyl) (N,N-diethylcarbamoylmethyl)phosphonatePhosphonic acid, [2-(diethylamino)-2-oxoethyl]-, bis(2,2,4-trimethylpentyl) ester
Database identifiers
- CAS
195372-04-4- PubChem CID
- 4069860
- EC Number
- 118-471-7
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 486.646 · 486.646±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.967 · 0.967±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.849 · -0.849±0.70(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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