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153534-76-0

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Basic Information
CAS No.: 153534-76-0
Name: N-(1-PYRENEMETHYL)IODOACETAMIDE
Molecular Structure:
Molecular Structure of 153534-76-0 (N-(1-PYRENEMETHYL)IODOACETAMIDE)
Formula: C19H14INO
Molecular Weight: 399.23
Synonyms: 2-Iodo-N-(pyren-1-ylmethyl)acetamide;N-(1-Pyrenemethyl)iodoacetamide;
Density: 1.691 g/cm3
Boiling Point: 605.7 °C at 760 mmHg
Flash Point: 320.1 °C
PSA: 29.10000
LogP: 5.02610
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Specification

The Acetamide,2-iodo-N-(1-pyrenylmethyl)-, with the CAS registry number 153534-76-0, is also known as N-(1-Pyrenemethyl)iodoacetamide. This chemical's molecular formula is C19H14INO and molecular weight is 399.23. What's more, its systematic name is 2-Iodo-N-(pyren-1-ylmethyl)acetamide.

Physical properties of Acetamide,2-iodo-N-(1-pyrenylmethyl)- are: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2649.19; (6)ACD/BCF (pH 7.4): 2649.19; (7)ACD/KOC (pH 5.5): 9814.32; (8)ACD/KOC (pH 7.4): 9814.31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.825; (14)Molar Refractivity: 103.24 cm3; (15)Molar Volume: 236 cm3; (16)Polarizability: 40.92×10-24 cm3; (17)Surface Tension: 66 dyne/cm; (18)Density: 1.691 g/cm3; (19)Flash Point: 320.1 °C; (20)Enthalpy of Vaporization: 90.04 kJ/mol; (21)Boiling Point: 605.7 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICC(=O)NCc4ccc2ccc1cccc3c1c2c4cc3
(2)InChI: InChI=1S/C19H14INO/c20-10-17(22)21-11-15-7-6-14-5-4-12-2-1-3-13-8-9-16(15)19(14)18(12)13/h1-9H,10-11H2,(H,21,22)
(3)InChIKey: AYGLXDHPIAFAJF-UHFFFAOYSA-N