Benzenepropanamide, a-(acetylamino)-N-(4-nitrophenyl)- supplier

Name
AC-DL-PHE-PNA
EINECS
CAS No. 19746-42-0
Density 1.304 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₇N₃O₄
Boiling Point 660.9 °C at 760 mmHg
Molecular Weight 327.34
Flash Point 353.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Acetylamino)-N-(4-nitrophenyl)-3-phenylpropanamide;
PSA 104.02000
LogP 3.26780

Benzenepropanamide, a-(acetylamino)-N-(4-nitrophenyl)- Specification

The Benzenepropanamide, a-(acetylamino)-N-(4-nitrophenyl)-, with the CAS registry number 19746-42-0, is also known as 2-(Acetylamino)-N-(4-nitrophenyl)-3-phenylpropanamide. This chemical's molecular formula is C₁₇H₁₇N₃O₄ and molecular weight is 327.3346. What's more, its systematic name which is called Nα-acetyl-N-(4-nitrophenyl)phenylalaninamide.

Physical properties about Benzenepropanamide, a-(acetylamino)-N-(4-nitrophenyl)- are: (1)ACD/LogP: 2.79; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.91; (6)ACD/BCF (pH 7.4): 77.91; (7)ACD/KOC (pH 5.5): 786.38; (8)ACD/KOC (pH 7.4): 786.37; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 86.44 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 89.03 cm³; (15)Molar Volume: 250.8 cm³; (16)Polarizability: 35.29×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.304 g/cm³; (19)Flash Point: 353.5 °C; (20)Enthalpy of Vaporization: 97.25 kJ/mol; (21)Boiling Point: 660.9 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)C(NC(=O)C)Cc2ccccc2
(2) InChI: InChI=1/C17H17N3O4/c1-12(21)18-16(11-13-5-3-2-4-6-13)17(22)19-14-7-9-15(10-8-14)20(23)24/h2-10,16H,11H2,1H3,(H,18,21)(H,19,22)
(3) InChIKey: TZLBBSYDVWOTKB-UHFFFAOYAQ

Product Name

AC-DL-PHE-PNA

Benzenepropanamide, a-(acetylamino)-N-(4-nitrophenyl)- Specification

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