Molecule structure of Diphenylethanolamine hydrochloride (CAS NO.5959-42-2) :
IUPAC Name: (2-hydroxy-1,2-diphenylethyl)azanium chloride
Molecular Weight: 249.73594 g/mol
Molecular Formula: C14H16ClNO
Boiling Point: 374.3 °C at 760 mmHg
Flash Point: 180.2 °C
Enthalpy of Vaporization: 65.58 kJ/mol
Vapour Pressure: 2.88E-06 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 249.092042
MonoIsotopic Mass: 249.092042
Topological Polar Surface Area: 47.9
Heavy Atom Count: 17
Complexity: 195
Canonical SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)[NH3+].[Cl-]
InChI: InChI=1S/C14H15NO.ClH/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10,13-14,16H,15H2;1H
InChIKey of Diphenylethanolamine hydrochloride (CAS NO.5959-42-2) : DWMRKFHDHZDONL-UHFFFAOYSA-N
1. | scu-mus LDLo:336 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 39 (1950),354. | ||
2. | ivn-rbt LDLo:60 mg/kg | JACSAT Journal of the American Chemical Society. 52 (1930),3317. | ||
3. | scu-gpg LDLo:450 mg/kg | JACSAT Journal of the American Chemical Society. 52 (1930),3317. |
Poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Diphenylethanolamine hydrochloride (CAS NO.5959-42-2) is also called 2-Amino-1,2-diphenylethanol hydrochloride ; Benzyl alcohol, alpha-(alpha-aminobenzyl)-, hydrochloride ; Ethanol, 2-amino-1,2-diphenyl-, hydrochloride ; NSC 10001 ;
alpha,beta-Diphenyl-beta-oxyaethylaminhydrochlorid [German] ; beta-Amino-alpha-phenylbenzeneethanol hydrochloride .
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