1-(2-Hydroxyethylamino)-3-o-tolyloxy-propan-2-ol
Basic information
- CAS
89225-43-4- Standard SMILES
Cc1ccccc1OCC(O)CNCCO- InChIKey
BNQJPIYJQWDWIW-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethylamino)-3-o-tolyloxy-propan-2-ol
- IUPAC
- 1-(2-hydroxyethylamino)-3-(2-methylphenoxy)propan-2-ol
- English name
- 1-(2-Hydroxy-ethylamino)-3-o-tolyloxy-propan-2-ol
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
89225-43-41-(2-hydroxyethylamino)-3-o-tolyloxy-propan-2-ol1-(2-hydroxyethylamino)-3-(2-methylphenoxy)propan-2-ol2-Propanol, 1-[(2-hydroxyethyl)amino]-3-(2-methylphenoxy)-1-(2-Hydroxy-ethylamino)-3-o-tolyloxy-propan-2-ol1-((2-Hydroxyethyl)amino)-3-(o-tolyloxy)propan-2-olSCHEMBL10740739DTXSID80389648AKOS000301279AKOS017262086DB-017133ST50010002
Show more names
AG-690/40640377SR-01000311185SR-01000311185-11-[(2-hydroxyethyl)amino]-3-(2-methylphenoxy)-2-propanol1-[(2-Hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol3-[(2-hydroxyethyl)amino]-1-(2-methylphenoxy)propan-2-ol
Database identifiers
- CAS
89225-43-4- PubChem CID
- 3133079
- DTXSID
DTXSID80389648
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 410.6 · 410.6±40.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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