CAS No.55-43-6,N-(2-CHLOROETHYL)DIBENZYLAMINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55-43-6
Name:	N-(2-CHLOROETHYL)DIBENZYLAMINE HYDROCHLORIDE
Article Data:	2

Formula:	C16H18 Cl N . Cl H
Molecular Weight:	296.24
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
Density:	1.107g/cm³
Melting Point:	190-193 °C(lit.)
Boiling Point:	320°Cat760mmHg
Flash Point:	147.3°C
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
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 NO_x.
PSA:	3.24000
LogP:	4.72960

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Chemistry

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: C₁₆H₁₉Cl₂N
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

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.

Safety Profile

Hazard Codes: Irritant Xi
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 NO_x.

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 .