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Dibenamine hydrochloride

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Name

Dibenamine hydrochloride

EINECS N/A
CAS No. 55-43-6 Density 1.107g/cm3
PSA 3.24000 LogP 4.72960
Solubility N/A Melting Point 190-193 °C(lit.)

Formula C16H18 Cl N . Cl H Boiling Point 320°Cat760mmHg
Molecular Weight 296.24 Flash Point 147.3°C
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. An adrenergic blocker and diagnostic aid (pheochromocytoma). When heated to decomposition it emits very toxic fumes of Cl and NOx. Risk Codes R36/37/38
Molecular Structure Molecular Structure of 55-43-6 (N-(2-CHLOROETHYL)DIBENZYLAMINE HYDROCHLORIDE) Hazard Symbols Xi
Synonyms

Benzenemethanamine,N-(2-chloroethyl)-N-(phenylmethyl)-, hydrochloride (9CI); Dibenzylamine,N-(2-chloroethyl)-, hydrochloride (8CI); (2-Chloroethyl)dibenzylaminehydrochloride; (N,N-Dibenzylamino)ethyl chloride hydrochloride; (b-Chloroethyl)dibenzylaminehydrochloride; 2-(Dibenzylamino)ethyl chloride hydrochloride; Dibenamine hydrochloride;N,N-Dibenzyl-b-chloroethylaminehydrochloride; N-(2-Chloroethyl)dibenzylamine hydrochloride; Sympatholytin

Article Data 2

Dibenamine hydrochloride Chemical Properties

Molecule structure of Dibenamine hydrochloride (CAS NO.55-43-6):

IUPAC Name: N,N-Dibenzyl-2-chloroethanamine hydrochloride 
Molecular Weight: 296.23476 g/mol
Molecular Formula: C16H19Cl2
Melting Point: 190-193 °C(lit.)
Boiling Point: 320 °C at 760 mmHg
Flash Point: 147.3 °C
Enthalpy of Vaporization: 56.16 kJ/mol
Vapour Pressure: 0.000328 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 6
Exact Mass: 295.089455
MonoIsotopic Mass: 295.089455
Topological Polar Surface Area: 3.2
Heavy Atom Count: 19
Complexity: 187
Canonical SMILES: C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2.Cl
InChI: InChI=1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
InChIKey: LZXCEBPGNFLHEQ-UHFFFAOYSA-N
EINECS: 200-234-5
Product Categories of Dibenamine hydrochloride (CAS NO.55-43-6): Amine Salts; Nitrogen Compounds; Organic Building Blocks

Dibenamine hydrochloride Toxicity Data With Reference

1.    

ipr-mus LD50:75 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),167.
2.    

scu-mus LD50:400 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),167.
3.    

ivn-mus LD50:50 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),167.
4.    

ivn-cat LDLo:35 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),167.

Dibenamine hydrochloride Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: HQ6825000
Poison by subcutaneous, intravenous, and intraperitoneal routes. An adrenergic blocker and diagnostic aid (pheochromocytoma). When heated to decomposition it emits very toxic fumes of Cl and NOx.

Dibenamine hydrochloride Specification

 Dibenamine hydrochloride (CAS NO.55-43-6) is also named as 2-Chloroethyldibenzylamine hydrochloride ; 2-Dibenzylaminoethyl chloride hydrochloride ; Benzenemethanamine, N-(2-chloroethyl)-N-(phenylmethyl)-, hydrochloride ; Dibenamine HCl ; Dibenzylchlorethamine hydrochloride ; Dibenzylchlorethylamine hydrochloride ; N,N-Dibenzyl-2-chloroethylamine hydrochloride ; N,N-Dibenzyl-beta-chloroethylamine hydrochloride ; N,N-Dibenzylaminoethyl chloride hydrochloride ; N-(2-Chloroethyl)dibenzylamine hydrochloride ; NSC 11491 ; Sympatholytin ; beta-Chloroethyldibenzylamine hydrochloride .

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