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199612-75-4

Basic Information
CAS No.: 199612-75-4
Name: L-Phenylalanine,N-[1-oxo-4-(1-pyrenyl)butyl]-
Molecular Structure:
Molecular Structure of 199612-75-4 (L-Phenylalanine,N-[1-oxo-4-(1-pyrenyl)butyl]-)
Formula: C29H25NO3
Molecular Weight: 435.51
Synonyms: N-(1-Phenylalanine)-4-(1-pyrene)butryamide;
EINECS:
Density: 1.284 g/cm3
Melting Point:
Boiling Point: 729.1 °C at 760 mmHg
Flash Point: 394.7 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 66.40000
LogP: 6.10970
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  • N-(1-l-phenylalanine)-4-(1-pyrene)butyramide

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    199612-75-4

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  • 4-(1-Pyrenyl)butyryl-Phe-OH199612-75-4

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  • L-Phenylalanine,N-[1-oxo-4-(1-pyrenyl)butyl]-

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  • 4-(1-Pyrenyl)butyryl-Phe-OH

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Specification

The L-Phenylalanine,N-[1-oxo-4-(1-pyrenyl)butyl]-, with the CAS registry number of 199612-75-4, is also known as N-(1-Phenylalanine)-4-(1-pyrene)butryamide. It belongs to the product categories of Fluorescent Labels and Indicators; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Fluorescent Labels & Indicators; Photoaffinity Labels. Its molecular formula is C29H25NO3 and molecular weight is 435.51. What's more, its systematic name is N-(4-Pyren-1-ylbutanoyl)-L-phenylalanine.

Physical properties about the L-Phenylalanine,N-[1-oxo-4-(1-pyrenyl)butyl]- are: (1)ACD/LogP: 6.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 236.14; (6)ACD/BCF (pH 7.4): 9.97; (7)ACD/KOC (pH 5.5): 405.13; (8)ACD/KOC (pH 7.4): 17.11; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 134.81 cm3; (15)Molar Volume: 338.9 cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Density: 1.284 g/cm3; (18)Flash Point: 394.7 °C; (19)Enthalpy of Vaporization: 111.71 kJ/mol; (20)Boiling Point: 729.1 °C at 760 mmHg; (21)Vapour Pressure: 2.6E-22 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@@H](NC(=O)CCCc4ccc3ccc2cccc1ccc4c3c12)Cc5ccccc5
(2) InChI: InChI=1/C29H25NO3/c31-26(30-25(29(32)33)18-19-6-2-1-3-7-19)11-5-8-20-12-13-23-15-14-21-9-4-10-22-16-17-24(20)28(23)27(21)22/h1-4,6-7,9-10,12-17,25H,5,8,11,18H2,(H,30,31)(H,32,33)/t25-/m0/s1
(3) InChIKey: DPTMGBIKSPWCNS-VWLOTQADBO