-
Name
H-PRO-PHE-OH
- EINECS
- CAS No. 13589-02-1
- Article Data8
- CAS DataBase
- Density 1.228g/cm3
- Solubility
- Melting Point 250-251 °C
- Formula C14H18N2O3
- Boiling Point 531.9 °C at 760 mmHg
- Molecular Weight 262.309
- Flash Point 275.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Alanine,3-phenyl-N-L-prolyl-, L- (6CI,7CI,8CI);L-Phenylalanine, N-L-prolyl-;L-Prolyl-L-phenylalanine;Prolylphenylalanine;
- PSA 78.43000
- LogP 1.27020
L-Phenylalanine,L-prolyl- 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
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