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77234-90-3

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Basic Information
CAS No.: 77234-90-3
Name: alpha-[4-(phenethyl)phenyl]-1H-imidazol-1-ethanol monohydrochloride
Molecular Structure:
Molecular Structure of 77234-90-3 (alpha-[4-(phenethyl)phenyl]-1H-imidazol-1-ethanol monohydrochloride)
Formula: C19H20 N2 O . Cl H
Molecular Weight: 328.87
Synonyms: 1H-Imidazole-1-ethanol,a-[4-(2-phenylethyl)phenyl]-,monohydrochloride (9CI)
Boiling Point: 504.8°C at 760 mmHg
Flash Point: 259.1°C
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 38.05000
LogP: 4.20390
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    1H-Imidazole-1-ethanol,a-[4-(2-phenylethyl)phenyl]-,hydrochloride (1:1)

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  • 2-imidazol-1-yl-1-(4-phenethylphenyl)ethanol hydrochloride

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    2-imidazol-1-yl-1-(4-phenethylphenyl)ethanol hydrochloride

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  • 1H-Imidazole-1-ethanol,a-[4-(2-phenylethyl)phenyl]-,hydrochloride (1:1)

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    1H-Imidazole-1-ethanol,a-[4-(2-phenylethyl)phenyl]-,hydrochloride (1:1)

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Chemistry

Molecule structure of Denzimol hydrochloride (CAS NO.77234-90-3):

IUPAC Name: 2-Imidazol-1-yl-1-(4-phenethylphenyl)ethanol hydrochloride 
Molecular Weight: 328.83584 g/mol
Molecular Formula: C19H21ClN2O 
Boiling Point: 504.8 °C at 760 mmHg
Flash Point: 259.1 °C
Enthalpy of Vaporization: 81.53 kJ/mol
Vapour Pressure: 5.21E-11 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 328.134241
MonoIsotopic Mass: 328.134241
Topological Polar Surface Area: 38
Heavy Atom Count: 23
Complexity: 309
Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(CN3C=CN=C3)O.Cl
InChI: InChI=1S/C19H20N2O.ClH/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16;/h1-5,8-13,15,19,22H,6-7,14H2;1H
InChIKey: RBDNRYIXZOBPMV-UHFFFAOYSA-N
EINECS: 278-643-3 
Classification Code of Denzimol hydrochloride (CAS NO.77234-90-3): Drug / Therapeutic Agent

Toxicity Data With Reference

1.    

ipr-rat LD50:332 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 33 (1983),1155.
2.    

ivn-rat LD50:22 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 33 (1983),1155.
3.    

orl-mus LD50:434 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 24 (1981),727.
4.    

ipr-mus LD50:246 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 33 (1983),1168.
5.    

ivn-mus LD50:46 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 33 (1983),1168.
6.    

ivn-rbt LD50:22,400 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 33 (1983),1168.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

 Denzimol hydrochloride (CAS NO.77234-90-3) is also named as N-(beta-(4-(beta-Phenylethyl)phenyl)-beta-hydroxyethyl)imidazole hydrochloride ; REC 15-1533 ; alpha-(p-Phenethylphenyl)-1-imidazoleethanol monohydrochloride ; Imidazole-1-ethanol, alpha-(p-phenethylphenyl)-, monohydrochloride .