Idrocilamide supplier | CasNO.6961-46-2

Name
idrocilamide
EINECS 230-155-1
CAS No. 6961-46-2
Article Data5
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point 100-102°
Formula C₁₁H₁₃NO₂
Boiling Point 439.4 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 219.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamamide,N-(2-hydroxyethyl)- (8CI);Brolitene;Idrocilamide;LCB 29;N-(2-Hydroxyethyl)cinnamamide;N-(2-Hydroxyethyl)cinnamide;NSC 44979;NSC58207;NSC 63229;Srilane;
PSA 49.33000
LogP 1.19920

Idrocilamide Specification

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 C₁₁H₁₃NO₂and 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.

Product Name

idrocilamide

Idrocilamide Specification

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