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128298-28-2

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Basic Information
CAS No.: 128298-28-2
Name: Ramacemide
Molecular Structure:
Molecular Structure of 128298-28-2 (Ramacemide)
Formula: C17H20N2O
Molecular Weight: 268.35
Synonyms: Acetamide,2-amino-N-(1-methyl-1,2-diphenylethyl)-, (?à)-;(?à)-Remacemide;2-Amino-N-(1,2-diphenyl-1-methylethyl)acetamide;AR-R 12924;FPL 12924;PR 934-423;Remacemide;
Density: 1.104 g/cm3
Boiling Point: 466.4 °C at 760 mmHg
Flash Point: 235.9 °C
PSA: 55.12000
LogP: 3.31060
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Specification

The Ramacemide, with the cas registry number 128298-28-2, has the systematic name of N-(1,2-diphenylpropan-2-yl)glycinamide. And the molecular formula of the chemical is C17H20N2O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 1.09; (6)ACD/BCF (pH 7.4): 29.46; (7)ACD/KOC (pH 5.5): 12.94; (8)ACD/KOC (pH 7.4): 348.15; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 80.92 cm3; (15)Molar Volume: 242.9 cm3; (16)Polarizability: 32.07×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 235.9 °C; (20)Enthalpy of Vaporization: 72.82 kJ/mol; (21)Boiling Point: 466.4 °C at 760 mmHg; (22)Vapour Pressure: 7.09E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC(c1ccccc1)(C)Cc2ccccc2)CN
(2)InChI: InChI=1/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)
(3)InChIKey: YSGASDXSLKIKOD-UHFFFAOYAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 876mg/kg (876mg/kg)   Progress in Clinical and Biological Research. Vol. 361, Pg. 435, 1990.
rat LD50 oral 983mg/kg (983mg/kg)   Progress in Clinical and Biological Research. Vol. 361, Pg. 435, 1990.