CAS No.42537-99-5,H-ILE-ILE-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42537-99-5
Name:	H-ILE-ILE-OH
Article Data:	2

Formula:	C₁₂H₂₄N₂O₃
Molecular Weight:	244.334
Synonyms:	Isoleucine,N-isoleucyl- (7CI);L-Isoleucine, N-L-isoleucyl-;Isoleucylisoleucine;
Density:	1.051 g/cm³
Boiling Point:	432.676 °C at 760 mmHg
Flash Point:	215.475 °C
PSA:	92.42000
LogP:	2.06650

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Specification

The L-Isoleucine, L-isoleucyl-, with the CAS registry number of 42537-99-5, is also known as Isoleucylisoleucine. This chemical's molecular formula is C₁₂H₂₄N₂O₃ and molecular weight is 244.33. What's more, its systematic name is called 2-[(2-Ammonio-3-methylpentanoyl)amino]-3-methylpentanoate. Besides, it should be stored at -15 °C.

Physical properties about L-Isoleucine, L-isoleucyl- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (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: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 96.87 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 66.2 cm³; (15)Molar Volume: 232.3 cm³; (16)Surface Tension: 39.6 dyne/cm; (17)Density: 1.051 g/cm³; (18)Flash Point: 215.475 °C; (19)Enthalpy of Vaporization: 75.499 kJ/mol; (20)Boiling Point: 432.676 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)C(NC(=O)C([NH3+])C(C)CC)C(C)CC
(2) InChI: InChI=1/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
(3) InChIKey: BCVIOZZGJNOEQS-UHFFFAOYAV