L-Phenylalanine,N-(2-phenylacetyl)- supplier

Name
N-(PHENYLACETYL)-L-PHENYLALANINE
EINECS 604-604-1
CAS No. 738-75-0
Article Data5
CAS DataBase
Density 1.213 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₇NO₃
Boiling Point 547.4 °C at 760 mmHg
Molecular Weight 283.327
Flash Point 284.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-3-Phenyl-N-(phenylacetyl)-Alanine;
PSA 66.40000
LogP 2.43210

L-Phenylalanine,N-(2-phenylacetyl)- Specification

The L-Phenylalanine,N-(2-phenylacetyl)-, with the CAS registry number of 738-75-0, is also known as L-3-Phenyl-N-(phenylacetyl)-Alanine. It belongs to the product categories of Amino Acids; I - Z; Modified Amino Acids. Its molecular formula is C₁₇H₁₇NO₃ and molecular weight is 283.32. What's more, its IUPAC name is (2S)-3-Phenyl-2-[(2-phenylacetyl)amino]propanoic acid.

Physical properties about the L-Phenylalanine,N-(2-phenylacetyl)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.12; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 79.33 cm³; (15)Molar Volume: 233.4 cm³; (16)Surface Tension: 52.2 dyne/cm; (17)Density: 1.213 g/cm³; (18)Flash Point: 284.8 °C; (19)Enthalpy of Vaporization: 87 kJ/mol; (20)Boiling Point: 547.4 °C at 760 mmHg; (21)Vapour Pressure: 8.16E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)Cc1ccccc1)Cc2ccccc2
(2) InChI: InChI=1/C17H17NO3/c19-16(12-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1
(3) InChIKey: LIIPHJDKZNTNII-HNNXBMFYBR

Product Name

N-(PHENYLACETYL)-L-PHENYLALANINE

L-Phenylalanine,N-(2-phenylacetyl)- Specification

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