3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
Basic information
- CAS
1776-33-6- Standard SMILES
CCN(C=CC(=O)c1ccccc1O)CC- InChIKey
QXYMFGIARLJINM-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
- IUPAC
- 3-(diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
- English name
- trans-3-(Diethylamino)-1-(2-hydroxy-
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
3-(diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one1776-33-6DTXSID60350851RefChem:275378DTXCID50301918TimTec1_003941TRANS-3-(DIETHYLAMINO)-1-(2-HYDROXY-)trans-3-(Diethylamino)-1-(2-hydroxy-β-(Diethylamino)-2'-hydroxyacrylophenone2-Propen-1-one, 3-(diethylamino)-1-(2-hydroxyphenyl)-TRANS-3-(DIETHYLAMINO)-1-(2-HYDROXY-PHEN YL)-2-PROPEN-1-ONE, 98%JRH-02901, (E)-3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one, 97%
Database identifiers
- CAS
1776-33-6- PubChem CID
- 688258
- DTXSID
DTXSID60350851- EC Number
- 631-495-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 77 · 77-81 °C(lit.)
- Boiling point
- 340.1 · 340.1±42.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- pka
- 7.89 · 7.89±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Compound notes
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