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133399-57-2

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Basic Information
CAS No.: 133399-57-2
Name: N-Acryloyl-1-pyrenebutylamine
Molecular Structure:
Molecular Structure of 133399-57-2 (N-Acryloyl-1-pyrenebutylamine)
Formula: C23H21NO
Molecular Weight: 327.42
Synonyms: N-(4-Pyren-1-ylbutyl)prop-2-enamide;2-Propenamide, N-[4-(1-pyrenyl)butyl]-;
Density: 1.176 g/cm3
Boiling Point: 594 °C at 760 mmHg
Flash Point: 356.9 °C
Appearance: Light Brown Solid
PSA: 32.59000
LogP: 6.04920
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Specification

The N-Acryloyl-1-pyrenebutylamine, with the CAS registry number 133399-57-2, is also known as 2-Propenamide, N-[4-(1-pyrenyl)butyl]-. It belongs to the product categories of Fluorescent Labels and Indicators; Aromatics; Fluorescent Labels & Indicators. This chemical's molecular formula is C23H21NO and molecular weight is 327.42. What's more, its systematic name is N-(4-pyren-1-ylbutyl)prop-2-enamide. It is used as a fluorescent tag for polymer chemistry.

Physical properties of N-Acryloyl-1-pyrenebutylamine are: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6869.45; (6)ACD/BCF (pH 7.4): 6869.45; (7)ACD/KOC (pH 5.5): 19411.53; (8)ACD/KOC (pH 7.4): 19411.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 108.52 cm3; (15)Molar Volume: 278.3 cm3; (16)Polarizability: 43.02×10-24cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.176 g/cm3; (19)Flash Point: 356.9 °C; (20)Enthalpy of Vaporization: 88.55 kJ/mol; (21)Boiling Point: 594 °C at 760 mmHg; (22)Vapour Pressure: 4.44E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C)NCCCCc4ccc2ccc1cccc3c1c2c4cc3
(2)InChI: InChI=1S/C23H21NO/c1-2-21(25)24-15-4-3-6-16-9-10-19-12-11-17-7-5-8-18-13-14-20(16)23(19)22(17)18/h2,5,7-14H,1,3-4,6,15H2,(H,24,25)
(3)InChIKey: JXBUWCCWJDDJSJ-UHFFFAOYSA-N