CAS No.2577-40-4,H-PHE-PHE-OH Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2577-40-4
Name:	H-PHE-PHE-OH
Article Data:	22

Formula:	C₁₈H₂₀N₂O₃
Molecular Weight:	312.368
Synonyms:	L-Phe-L-Phe;
EINECS:	219-930-5
Density:	1.229 g/cm³
Melting Point:	288-290℃
Boiling Point:	582.8 °C at 760 mmHg
Flash Point:	306.2 °C
PSA:	92.42000
LogP:	2.45970

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Specification

The L-Phenylalanine,L-phenylalanyl-, with the CAS registry number of 2577-40-4, is also known as L-Phe-L-Phe. It belongs to the product category of Amino Acid Derivatives. Its EINECS registry number is 219-930-5. Its molecular formula is C₁₈H₂₀N₂O₃ and molecular weight is 312.36. What's more, its systematic name is (2S)-2-{[(2S)-2-Ammonio-3-phenylpropanoyl]amino}-3-phenylpropanoate.

Physical properties about the L-Phenylalanine,L-phenylalanyl- are: (1)ACD/LogP: 2.48; (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): 1.7; (6)ACD/KOC (pH 7.4): 1.1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 57.61 Å²; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 87.46 cm³; (13)Molar Volume: 253.9 cm³; (14)Surface Tension: 55.6 dyne/cm; (15)Density: 1.229 g/cm³; (16)Flash Point: 306.2 °C; (17)Enthalpy of Vaporization: 91.63 kJ/mol; (18)Boiling Point: 582.8 °C at 760 mmHg; (19)Vapour Pressure: 2.01E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH3+])Cc2ccccc2
(2) InChI: InChI=1/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1
(3) InChIKey: GKZIWHRNKRBEOH-HOTGVXAUBH