- 1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride
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Cas Database |
| Name |
1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride |
EINECS | N/A |
| CAS No. | 94240-17-2 | Density | g/cm3 |
| PSA | 49.33000 | LogP | 1.98720 |
| Solubility | N/A | Melting Point |
231-233°C |
| Formula | C9H11 N O2 . Cl H | Boiling Point | 331.2 °C at 760 mmHg |
| Molecular Weight | 201.653 | Flash Point | 154.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethanone,1-(3-hydroxyphenyl)-2-(methylamino)-, hydrochloride (9CI); 1-(3-Hydroxyphenyl)-2-(methylamino)ethanonehydrochloride |
Article Data | 3 |
1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride Chemical Properties
Molecular Structure of 1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride (CAS NO.94240-17-2):
.gif)
IUPAC Name: 1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride
Molecular Formula: C9H12ClNO2
Molecular Weight: 201.65
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 23
Exact Mass: 201.055656
MonoIsotopic Mass: 201.055656
Topological Polar Surface Area: 49.3
Heavy Atom Count: 13
Complexity: 159
Mol File: 94240-17-2.mol
Flash Point: 154.1 °C
Enthalpy of Vaporization: 59.66 kJ/mol
Boiling Point: 331.2 °C at 760 mmHg
Vapour Pressure: 8.21E-05 mmHg at 25 °C
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: CNCC(=O)C1=CC(=CC=C1)O.Cl
InChI: InChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,10-11H,6H2,1H3;1H
InChIKey: DEOGEZWYKPQJLP-UHFFFAOYSA-N
1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 927mg/kg (927mg/kg) | Pharmaceutical Chemistry Journal Vol. 22, Pg. 857, 1988. |
1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride Specification
1-(3-Hydroxyphenyl)-2-(methylamino)ethanone hydrochloride (CAS NO.94240-17-2), its Synonyms are Ethanone, 1-(3-hydroxyphenyl)-2-(methylamino)-, hydrochloride ; 3-Hydroxyphenyl-omega-methylaminoacetophenone hydrochloride ; Ethanone,1-(3-hydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) ; Ethanone,1-(3-hydroxyphenyl)-2-(methylamino)-, hydrochloride (9CI) .
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