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CAS No.: | 6961-46-2 |
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Name: | idrocilamide |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H13NO2 |
Molecular Weight: | 191.23 |
Synonyms: | Cinnamamide,N-(2-hydroxyethyl)- (8CI);Brolitene;Idrocilamide;LCB 29;N-(2-Hydroxyethyl)cinnamamide;N-(2-Hydroxyethyl)cinnamide;NSC 44979;NSC58207;NSC 63229;Srilane; |
EINECS: | 230-155-1 |
Density: | 1.146 g/cm3 |
Melting Point: | 100-102° |
Boiling Point: | 439.4 °C at 760 mmHg |
Flash Point: | 219.5 °C |
PSA: | 49.33000 |
LogP: | 1.19920 |
The CAS register number of Idrocilamide is 6961-46-2. It also can be called as 2-Propenamide,N-(2-hydroxyethyl)-3-phenyl- and the IUPAC name about this chemical is (E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide. The molecular formula about this chemical is C11H13NO2 and molecular weight is 191.23. Classification code about this chemical is Drug / Therapeutic Agent.
Physical properties about Idrocilamide are: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 0.82; (4)ACD/BCF (pH 5.5): 2.48; (5)ACD/BCF (pH 7.4): 2.48; (6)ACD/KOC (pH 5.5): 66.76; (7)ACD/KOC (pH 7.4): 66.76; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 56.56 cm3; (14)Molar Volume: 166.8 cm3; (15)Polarizability: 22.42x10-24cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Enthalpy of Vaporization: 73.39 kJ/mol; (18)Boiling Point: 439.4 °C at 760 mmHg; (19)Vapour Pressure: 1.7E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1ccccc1)NCCO
(2)InChI: InChI=1/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)/b7-6+
(3)InChIKey: OSCTXCOERRNGLW-VOTSOKGWBE
(4)Std. InChI: InChI=1S/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)/b7-6+
(5)Std. InChIKey: OSCTXCOERRNGLW-VOTSOKGWSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | > 150mg/kg (150mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: IRRITABILITY | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 205, 1974. |
mouse | LD50 | oral | 2950mg/kg (2950mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: IRRITABILITY | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 205, 1974. |
rat | LD50 | intraperitoneal | > 400mg/kg (400mg/kg) | Journal of Medicinal Chemistry. Vol. 28, Pg. 28, 1985. | |
rat | LD50 | oral | > 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: IRRITABILITY | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 205, 1974. |