Triethanolamine tris(dihydrogen phosphate)
Basic information
- CAS
68140-45-4- Standard SMILES
O=P(O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O- InChIKey
UITHHINVTNPXDF-UHFFFAOYSA-N- Molecular formula
- C6H18NO12P3
- Average molar mass
- 389.13 g/mol
- Monoisotopic mass
- 389.004186
Names & identifiers
- Preferred name
- Triethanolamine tris(dihydrogen phosphate)
- IUPAC
- 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate
- English name
- 2,2',2''-nitrilotrisethyl tri(dihydrogenphosphate)
- Molecular formula
- C6H18NO12P3
- Molecular weight
- 389.13
Names & synonyms
68140-45-4Triethanolamine tris(dihydrogen phosphate)Nitrilotris(ethyl phosphate)36YHT392ID2,2',2''-Nitrilotrisethyl tri(dihydrogenphosphate)WAHIB STriethanolamine, triphosphate esterEINECS 268-796-4DTXSID6029410Ethanol, 2,2',2''-nitrilotris-, tris(dihydrogen phosphate) (ester)Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate)RefChem:899449
Show more names
2,2',2''-Nitrilotrisethanol tris(dihydrogen phosphate)2,2',2''-nitrilotris-ethano tris(dihydrogen phosphate) (ester)
DTXCID009410268-796-4Nitrilotris(ethane-2,1-diyl) tris(dihydrogen phosphate)UNII-36YHT392IDSCHEMBL946310UITHHINVTNPXDF-UHFFFAOYSA-NNS00090322Q27256599
Database identifiers
- CAS
68140-45-4- PubChem CID
- 62246
- DTXSID
DTXSID6029410- UNII
- 36YHT392ID
- EC Number
- 268-796-4
- Nikkaji
- J283.018C
Properties
Computed structural properties
- XLogP
- -7.4
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- FDA UNII
- 36 YHT392ID · 36YHT392ID
- EPA Substance Registry System
- Triethanolamine tris(dihydrogen phosphate) (68140-45-4)
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…