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52766-27-5

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Basic Information
CAS No.: 52766-27-5
Name: H-LYS-PRO-OH HCL
Molecular Structure:
Molecular Structure of 52766-27-5 (H-LYS-PRO-OH HCL)
Formula: C11H21N3O3
Molecular Weight: 243.306
Synonyms: L-Proline,1-L-lysyl-;Proline, 1-L-lysyl- (7CI);3-4-Substance P;37: PN: WO2005081628SEQID: 1037 claimed protein;L-Lysyl-L-proline;Substance P3-4;
Density: 1.234 g/cm3
Boiling Point: 497.7 °C at 760 mmHg
Flash Point: 254.8 °C
PSA: 109.65000
LogP: 1.65880
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Specification

The L-Proline, L-lysyl- is an organic compound with the formula C11H21N3O3. The systematic name of this chemical is lysylproline. With the CAS registry number 52766-27-5, it is also named as Lysylproline.

Physical properties about L-Proline, L-lysyl- are: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 1 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 53.09 Å2; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 62.88 cm3; (13)Molar Volume: 197 cm3; (14)Polarizability: 24.93×10-24cm3; (15)Surface Tension: 60.7 dyne/cm; (16)Density: 1.234 g/cm3; (17)Flash Point: 254.8 °C; (18)Enthalpy of Vaporization: 83.84 kJ/mol; (19)Boiling Point: 497.7 °C at 760 mmHg; (20)Vapour Pressure: 2.92E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1N(C(=O)C(N)CCCCN)CCC1
(2)InChI: InChI=1/C11H21N3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9H,1-7,12-13H2,(H,16,17)
(3)InChIKey: AIXUQKMMBQJZCU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H21N3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9H,1-7,12-13H2,(H,16,17)
(5)Std. InChIKey: AIXUQKMMBQJZCU-UHFFFAOYSA-N