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19272-90-3

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Basic Information
CAS No.: 19272-90-3
Name: 4-HYDROXY-3-METHOXYCINNAMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 19272-90-3 (4-HYDROXY-3-METHOXYCINNAMIDE)
Formula: C10H11NO3
Molecular Weight: 193.202
Synonyms: Cinnamamide,4-hydroxy-3-methoxy- (8CI);Ferulamide;Ferulic amide;4-Hydroxy-3-methoxycinnamide;3-(4-Hydroxy-3-methoxyphenyl)-2-propenamid;Cinnamamide, 4-hydroxy-3-methoxy-;
Density: 1.257 g/cm3
Boiling Point: 435.3 °C at 760 mmHg
Flash Point: 217 °C
PSA: 73.54000
LogP: 2.04900
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Specification

The 2-Propenamide,3-(4-hydroxy-3-methoxyphenyl)-, with the CAS registry number 19272-90-3, is also known as Ferulic acid amide. It belongs to the product categories of Aromatic Carboxylic Acids; Amides; Anilides; Anhydrides & Salts. This chemical's molecular formula is C10H11NO3 and molecular weight is 193.2. What's more, its systematic name is Cinnamamide, 4-hydroxy-3-methoxy-.

Physical properties of 2-Propenamide,3-(4-hydroxy-3-methoxyphenyl)- are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1.63; (6)ACD/BCF (pH 7.4): 1.62; (7)ACD/KOC (pH 5.5): 49.37; (8)ACD/KOC (pH 7.4): 49.17; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 54.26 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 21.51×10-24 cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 217 °C; (20)Enthalpy of Vaporization: 71.82 kJ/mol; (21)Boiling Point: 435.3 °C at 760 mmHg; (22)Vapour Pressure: 3.48E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)\C=C\c1cc(OC)c(O)cc1
(2)InChI: InChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)/b5-3+
(3)InChIKey: YYAJJKZSQWOLIP-HWKANZROSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 193mg/kg (193mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.
mouse LD50 oral 640mg/kg (640mg/kg)   Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 20, Pg. 387, 1968.
rat LD50 oral 5gm/kg (5000mg/kg)   Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 20, Pg. 387, 1968.