Basic information
- CAS
54119-37-8- Standard SMILES
OCCNCCNCc1ccccc1- InChIKey
PEORPEBHZUHNFF-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Names & identifiers
- Preferred name
- Ethanol, 2-[[2-[(phenylmethyl)amino]ethyl]amino]-
- IUPAC
- 2-[2-(benzylamino)ethylamino]ethanol
- English name
- 2-[[2-[(Phenylmethyl)amino]ethyl]amino]ethanol
- Molecular formula
- C11H18N2O
- Molecular weight
- 194.27
Names & synonyms
Ethanol, 2-((2-((phenylmethyl)amino)ethyl)amino)-Ethanol, 2-[[2-[(phenylmethyl)amino]ethyl]amino]-DTXSID8068913RefChem:592274DTXCID904160754119-37-82-{[2-(benzylamino)ethyl]amino}ethan-1-olSCHEMBL6265883PEORPEBHZUHNFF-UHFFFAOYSA-NAKOS002615771DB-0980342-[[2-[(Phenylmethyl)amino]ethyl]amino]ethanol
Database identifiers
- CAS
54119-37-8- PubChem CID
- 104697
- DTXSID
DTXSID8068913- Nikkaji
- J429.240E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 346.1 · 346.1±22.0 °C(Predicted)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- pka
- 14.77 · 14.77±0.10(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-[[2-[(phenylmethyl)amino]ethyl]amino]- (54119-37-8)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[[2-[(phenylmethyl)amino]ethyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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