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78128-69-5

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Basic Information
CAS No.: 78128-69-5
Name: bis(2-hydroxyethyl)-[3-[(2-propoxybenzoyl)amino]propyl]azanium chlorid e
Molecular Structure:
Molecular Structure of 78128-69-5 (bis(2-hydroxyethyl)-[3-[(2-propoxybenzoyl)amino]propyl]azanium chlorid e)
Formula: C17H28 N2 O4 . Cl H
Molecular Weight: 360.93
Synonyms: Benzamide,N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-propoxy-, monohydrochloride (9CI)
Boiling Point: 549.4°C at 760 mmHg
Flash Point: 286°C
Safety: Poison by intraperitoneal and intravenous routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of NOx and HCl.
PSA: 83.23000
LogP: -3.14030
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  • Benzamide,N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-propoxy-, hydrochloride (1:1)

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    78128-69-5

    Benzamide,N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-propoxy-, hydrochloride (1:1)

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Chemistry

IUPAC Name: Bis(2-Hydroxyethyl)-[3-[(2-propoxybenzoyl)amino]propyl]azanium chloride
Synonyms of N-(3-(Bis(2-Hydroxyethyl)amino)propyl)-o-propoxybenzamide hydrochloride (CAS NO.78128-69-5): Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-propoxy-, hydrochloride
InChI: InChI=1/C17H28N2O4.ClH/c1-2-14-23-16-7-4-3-6-15(16)17(22)18-8-5-9-19(10-12-20)11-13-21;/h3-4,6-7,20-21H,2,5,8-14H2,1H3,(H,18,22);1H
InChIKey: KJBDRVPNJCNKGW-UHFFFAOYAA
Std. InChI: InChI=1S/C17H28N2O4.ClH/c1-2-14-23-16-7-4-3-6-15(16)17(22)18-8-5-9-19(10-12-20)11-13-21;/h3-4,6-7,20-21H,2,5,8-14H2,1H3,(H,18,22);1H
Std. InChIKey: KJBDRVPNJCNKGW-UHFFFAOYSA-N
CAS NO: 78128-69-5
Molecular Formula: C17H29ClN2O4
Molecular Weight: 360.8762
Molecular Structure :
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 14
Polar Surface Area: 48 Å2
Flash Point: 286 °C
Enthalpy of Vaporization: 87.26 kJ/mol
Boiling Point: 549.4 °C at 760 mmHg
Vapour Pressure: 6.67E-13 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 330mg/kg (330mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 743, 1960.
mouse LD50 intravenous 110mg/kg (110mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 743, 1960.
mouse LD50 subcutaneous 785mg/kg (785mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 743, 1960.

Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately toxic by subcutaneous route. When N-(3-(Bis(2-Hydroxyethyl)amino)propyl)-o-propoxybenzamide hydrochloride (CAS NO.78128-69-5) is heated to decomposition, it emits very toxic fumes of NOx and HCl.