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5332-51-4

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Basic Information
CAS No.: 5332-51-4
Name: undec-10-enamide
Article Data: 20
Molecular Structure:
Molecular Structure of 5332-51-4 (undec-10-enamide)
Formula: C11H21NO
Molecular Weight: 183.294
Synonyms: Undec-10-enamide;
Density: 0.889 g/cm3
Boiling Point: 332.9 °C at 760 mmHg
Flash Point: 155.2 °C
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Specification

The 10-Undecenamide, with the CAS registry number 5332-51-4, is also known as Undecylenyl acid amide. This chemical's molecular formula is C11H21NO and molecular weight is 183.16. What's more, its IUPAC name is Undec-10-enamide.

Physical properties about 10-Undecenamide are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 119.88; (6)ACD/BCF (pH 7.4): 119.88; (7)ACD/KOC (pH 5.5): 1070.5; (8)ACD/KOC (pH 7.4): 1070.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 56.3 cm3; (15)Molar Volume: 206 cm3; (16)Polarizability: 22.31×10-24 cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.889 g/cm3; (19)Flash Point: 155.2 °C; (20)Enthalpy of Vaporization: 57.58 kJ/mol; (21)Boiling Point: 332.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000141 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)CCCCCCCC\C=C
(2) InChI: InChI=1/C11H21NO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H2,12,13)
(3) InChIKey: YRIDFQASBDRMBJ-UHFFFAOYAX

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08600,