Phenylalanine,N-acetyl-4-cyano- supplier

Name
2-ACETYLAMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID
EINECS
CAS No. 146664-08-6
Article Data3
CAS DataBase
Density 1.276 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O₃
Boiling Point 535.138 °C at 760 mmHg
Molecular Weight 232.24
Flash Point 277.441 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Phenylalanine,N-acetyl-4-cyano-;N-Acetyl-4-cyano-DL-phenylalanine;N-Acetyl-4-cyanophenylalanine;
PSA 90.19000
LogP 1.08098

Phenylalanine,N-acetyl-4-cyano- Specification

The Phenylalanine,N-acetyl-4-cyano-, with the CAS registry number 146664-08-6, is also known as 2-Acetylamino-3-(4-cyano-phenyl)-propionic acid. This chemical's molecular formula is C₁₂H₁₂N₂O₃ and molecular weight is 232.24. What's more, its systematic name is N-Acetyl-4-cyanophenylalanine.

Physical properties of Phenylalanine,N-acetyl-4-cyano- are: (1)ACD/LogP: -1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 90.19 Å²; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 59.865 cm3; (13)Molar Volume: 182.042 cm³; (14)Polarizability: 23.732×10^-24cm³; (15)Surface Tension: 59.299 dyne/cm; (16)Density: 1.276 g/cm³; (17)Flash Point: 277.441 °C; (18)Enthalpy of Vaporization: 85.416 kJ/mol; (19)Boiling Point: 535.138 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(NC(C)=O)Cc1ccc(cc1)C#N
(2)InChI: InChI=1/C12H12N2O3/c1-8(15)14-11(12(16)17)6-9-2-4-10(7-13)5-3-9/h2-5,11H,6H2,1H3,(H,14,15)(H,16,17)
(3)InChIKey: RHWBMXJTGJAWTL-UHFFFAOYSA-N

Product Name

2-ACETYLAMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID

Phenylalanine,N-acetyl-4-cyano- Specification

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