Name: H-PRO-PHE-OH
SKU: 13589-02-1

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Basic Information

Molecular Structure:
CAS No.:	13589-02-1
Name:	H-PRO-PHE-OH
Article Data:	8

Formula:	C₁₄H₁₈N₂O₃
Molecular Weight:	262.309
Synonyms:	Alanine,3-phenyl-N-L-prolyl-, L- (6CI,7CI,8CI);L-Phenylalanine, N-L-prolyl-;L-Prolyl-L-phenylalanine;Prolylphenylalanine;
Density:	1.228g/cm³
Melting Point:	250-251 °C
Boiling Point:	531.9 °C at 760 mmHg
Flash Point:	275.5 °C
PSA:	78.43000
LogP:	1.27020

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Specification

The L-Phenylalanine,L-prolyl-, with CAS registry number 13589-02-1, has the systematic name of L-prolyl-L-phenylalanine. Besides this, it is also called H-PRO-PHE-OH. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C₁₄H₁₈N₂O₃.

Physical properties of L-Phenylalanine,L-prolyl-: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -1.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 69.87 cm³; (15)Molar Volume: 213.5 cm³; (16)Polarizability: 27.69×10^-24cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.228 g/cm³; (19)Flash Point: 275.5 °C; (20)Enthalpy of Vaporization: 84.99 kJ/mol; (21)Boiling Point: 531.9 °C at 760 mmHg; (22)Vapour Pressure: 3.85E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)Cc1ccccc1)[C@H]2NCCC2
(2)InChI: InChI=1/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
(3)InChIKey: IWIANZLCJVYEFX-RYUDHWBXBQ
(4)Std. InChI: InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
(5)Std. InChIKey: IWIANZLCJVYEFX-RYUDHWBXSA-N