Basic information
- CAS
23202-47-3- Standard SMILES
OCCN(CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
YJLPWJRMZCVURD-UHFFFAOYSA-N- Molecular formula
- C23H25NO2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.18852904
Names & identifiers
- Preferred name
- N,N-Bis(2-hydroxyethyl)tritylamine
- IUPAC
- 2-[2-hydroxyethyl(trityl)amino]ethanol
- English name
- N,N-Bis(2-hydroxyethyl)tritylamine
- Molecular formula
- C23H25NO2
- Molecular weight
- 347.45
Names & synonyms
N,N-BIS(2-HYDROXYETHYL)TRITYLAMINERefChem:822150661-292-923202-47-3N-Trityldiethanolamine2-[(2-hydroxyethyl)(trityl)amino]ethanol2,2'-(Tritylazanediyl)diethanolEthanol, 2,2'-[(triphenylmethyl)imino]bis-2-[2-hydroxyethyl(trityl)amino]ethanol2,2'-(tritylimino)diethanolSCHEMBL2490290DTXSID90403263
Show more names
YJLPWJRMZCVURD-UHFFFAOYSA-NMFCD00156570AKOS0033825092,2'-(tritylazanediyl)bis(ethan-1-ol)DB-391884ST450244232,2'-[(Triphenylmethyl)azanediyl]di(ethan-1-ol)AO-080/05519051
Database identifiers
- CAS
23202-47-3- PubChem CID
- 4435488
- DTXSID
DTXSID90403263- EC Number
- 661-292-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 160 °C · 160 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
- Boiling point
- 494.8 · 494.8±40.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- solubility
- soluble in DCM. Ethyl Acetate, Methanol
- pka
- 14.3 · 14.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesIsotope labelled 2,2'-[(Triphenylmethyl)imino]bisethanol is an trityl protected intermediate in the synthesis of Vilazodone (V265000), a combined serotonin specific reuptake inhibitor (SSRI) and 5-HT1A receptor partial agonist currently under clinical evaluation for the treatment of major depression.
Suppliers3 total
Related reactions
3 records
Compound notes
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