CAS No.60577-37-9,H-ABU-PHE-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60577-37-9
Name:	H-ABU-PHE-OH

Formula:	C₁₃H₁₈N₂O₃
Molecular Weight:	250.29
Synonyms:	L-Phenylalanine,L-a-aminobutyryl-;2-(2-aminobutanoylamino)-3-phenyl-propanoic acid;phenylalanine, N-(2-amino-1-oxobutyl)-;N-(2-Aminobutanoyl)phenylalanine;
Density:	1.193 g/cm³
Boiling Point:	493.267 °C at 760 mmHg
Flash Point:	252.119 °C
PSA:	92.42000
LogP:	1.62700

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Specification

The H-2-Abu-Phe-OH, with the CAS registry number 60577-37-9, has the systematic name of 2-(2-aminobutanoylamino)-3-phenyl-propanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₁₈N₂O₃.

The characteristics of H-2-Abu-Phe-OH are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 92.42 Å²; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 67.608 cm³; (12)Molar Volume: 209.777 cm³; (13)Polarizability: 26.802×10^-24cm³; (14)Surface Tension: 51.298 dyne/cm; (15)Density: 1.193 g/cm³; (16)Flash Point: 252.119 °C; (17)Enthalpy of Vaporization: 80.08 kJ/mol; (18)Boiling Point: 493.267 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCC(C(=O)NC(Cc1ccccc1)C(=O)O)N
(2)InChI: InChI=1/C13H18N2O3/c1-2-10(14)12(16)15-11(13(17)18)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8,14H2,1H3,(H,15,16)(H,17,18)
(3)InChIKey: JTULGEQUTVYWDK-UHFFFAOYAN