CAS No.269396-66-9,Fmoc-(R)-3-amino-4-(3-pyridyl)-butyric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	269396-66-9
Name:	Fmoc-(R)-3-amino-4-(3-pyridyl)-butyric acid

Formula:	C₂₄H₂₂N₂O₄
Molecular Weight:	402.44
Synonyms:	(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(pyridin-3-yl)butyricacid;(R)-3-(Fmoc-amino)-4-(3-pyridyl)butyric acid;(R)-Fmoc-4-(3-pyridyl)-β-Homoala-OH;3-Pyridinebutanoicacid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaR)-;Fmoc-4-(3-pyridyl)-D-β-homoalanine;
Density:	1.285 g/cm³
Boiling Point:	657.7 °C at 760 mmHg
Flash Point:	351.6 °C
Safety:	24/25-26
PSA:	88.52000
LogP:	4.39700

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Specification

The Fmoc-(R)-3-amino-4-(3-pyridyl)-butyric acid, with the CAS registry number 269396-66-9, is also known as (R)-Fmoc-4-(3-pyridyl)-β-Homoala-OH. It belongs to the product category of 3-Amino-4-phenylbutanoic Acid Analogs. This chemical's molecular formula is C₂₄H₂₂N₂O₄ and molecular weight is 402.44. What's more, its systematic name is (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-pyridin-3-ylbutanoic acid. It is irritant. Its storage temperature is 2 - 8 °C. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. What's more, it should be protected from oxidizers. When using it, you should avoid contacting with skin and eyes. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice.

Physical properties of Fmoc-(R)-3-amino-4-(3-pyridyl)-butyric acid are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 25.02; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 129.72; (8)ACD/KOC (pH 7.4): 3.4; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 68.73 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 111.12 cm³; (15)Molar Volume: 313.1 cm³; (16)Surface Tension: 59 dyne/cm; (17)Density: 1.285 g/cm³; (18)Flash Point: 351.6 °C; (19)Enthalpy of Vaporization: 101.73 kJ/mol; (20)Boiling Point: 657.7 °C at 760 mmHg; (21)Vapour Pressure: 3.41E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4cccnc4
(2)InChI: InChI=1S/C24H22N2O4/c27-23(28)13-17(12-16-6-5-11-25-14-16)26-24(29)30-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-11,14,17,22H,12-13,15H2,(H,26,29)(H,27,28)/t17-/m1/s1
(3)InChIKey: QBMDHZYUTBFELW-QGZVFWFLSA-N