IUPAC Name: : 3-[(2-Butoxybenzoyl)amino]propyl-bis(2-hydroxyethyl)azanium chloride
Synonyms of N-(3-(Bis(2-hydroxyethyl)amino)propyl)benzamide hydrochloride (CAS NO.78109-79-2): Benzamide, o-butoxy-N-(3-(bis(2-hydroxyethyl)amino)propyl)-, hydrochloride
InChI: InChI=1/C18H30N2O4.ClH/c1-2-3-15-24-17-8-5-4-7-16(17)18(23)19-9-6-10-20(11-13-21)12-14-22;/h4-5,7-8,21-22H,2-3,6,9-15H2,1H3,(H,19,23);1H
InChIKey: GXMOIEKILRTEOG-UHFFFAOYAR
Std. InChI: InChI=1S/C18H30N2O4.ClH/c1-2-3-15-24-17-8-5-4-7-16(17)18(23)19-9-6-10-20(11-13-21)12-14-22;/h4-5,7-8,21-22H,2-3,6,9-15H2,1H3,(H,19,23);1H
CAS NO: 78109-79-2
Molecular Formula: C18H31ClN2O4
Molecular Weight: 374.9027
Molecular Structure :
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 15
Polar Surface Area: 48 Å2
Flash Point: 291.1 °C
Enthalpy of Vaporization: 88.35 kJ/mol
Boiling Point: 557.8 °C at 760 mmHg
Vapour Pressure: 2.81E-13 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 80mg/kg (80mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 743, 1960. | |
mouse | LD50 | subcutaneous | 800mg/kg (800mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 743, 1960. |
Poison by intravenous route. Moderately toxic by subcutaneous route. When N-(3-(Bis(2-hydroxyethyl)amino)propyl)benzamide hydrochloride (CAS NO.78109-79-2) is heated to decomposition ,it emits very toxic fumes of HCl and NOx.
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