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63886-92-0

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Basic Information
CAS No.: 63886-92-0
Name: N,N-DIETHYL-2-(2'-HYDROXYETHOXY)BENZAMIDE
Molecular Structure:
Molecular Structure of 63886-92-0 (N,N-DIETHYL-2-(2'-HYDROXYETHOXY)BENZAMIDE)
Formula: C13H19NO3
Molecular Weight: 237.299
Synonyms: Benzamide,N,N-diethyl-o-2-hydroxyethoxy- (6CI);n,n-Diethyl-o-(beta-hydroxyethoxy)-benzamid;
Density: 1.099 g/cm3
Boiling Point: 419.1 °C at 760 mmHg
Flash Point: 207.3 °C
Hazard Symbols: Xn
Risk Codes: 22-41
Safety: 26-39
PSA: 49.77000
LogP: 1.53970
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Specification

The Benzamide,N,N-diethyl-2-(2-hydroxyethoxy)-, with the CAS registry number 63886-92-0, is also known as n,n-Diethyl-o-(beta-hydroxyethoxy)-benzamid. This chemical's molecular formula is C13H19NO3 and molecular weight is 237.29. What's more, both its IUPAC name and systematic name are the same which is called N,N-Diethyl-2-(2-hydroxyethoxy)benzamide.

Physical properties about Benzamide,N,N-diethyl-2-(2-hydroxyethoxy)- are: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.38; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 64.74; (8)ACD/KOC (pH 7.4): 64.74; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 66.74 cm3; (15)Molar Volume: 215.7 cm3; (16)Polarizability: 26.46×10-24 cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 207.3 °C; (20)Enthalpy of Vaporization: 70.93 kJ/mol; (21)Boiling Point: 419.1 °C at 760 mmHg; (22)Vapour Pressure: 8.95E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1OCCO)N(CC)CC
(2)InChI: InChI=1/C13H19NO3/c1-3-14(4-2)13(16)11-7-5-6-8-12(11)17-10-9-15/h5-8,15H,3-4,9-10H2,1-2H3
(3)InChIKey: QDOVDSFIOUZBQT-UHFFFAOYAY

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 450mg/kg (450mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
Link to PubMed
rat LD50 oral 750mg/kg (750mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
Link to PubMed