CAS No.135112-27-5,FMOC-ABU-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135112-27-5
Name:	FMOC-ABU-OH
Article Data:	3

Formula:	C₁₉H₁₉NO₄
Molecular Weight:	325.364
Synonyms:	Butanoicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (S)-;(S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]butanoic acid;Fmoc-Abu-OH;
EINECS:	828-203-7
Density:	1 +-.0.06 g/cm3(Predicted)
Melting Point:	161-163°C
Boiling Point:	550.7±33.0 °C(Predicted)
Safety:	22-24/25
PSA:	75.63000
LogP:	3.77920

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Specification

The systematic name of Fmoc-L-2-aminobutyric acid is 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. With the CAS registry number 135112-27-5, it is also named as Fmoc-Abu-OH. The product's categories are Amino Acids; Unusual Amino Acids. Besides, it should be stored at 2-8 °C. In addition, its molecular formula is C₁₉H₁₉NO₄ and its molecular weight is 325.36. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Fmoc-L-2-aminobutyric acid can be summarized as: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 6.82; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.39; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 88.54 cm³; (15)Molar Volume: 259.2 cm³; (16)Polarizability: 35.1×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 286.8 °C; (20)Enthalpy of Vaporization: 87.43 kJ/mol; (21)Boiling Point: 550.7 °C at 760 mmHg; (22)Vapour Pressure: 5.83E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(NC(=O)OCC3c1ccccc1c2c3cccc2)CC
(2)InChI: InChI=1/C19H19NO4/c1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22)
(3)InChIKey: XQIRYUNKLVPVRR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C19H19NO4/c1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22)
(5)Std. InChIKey: XQIRYUNKLVPVRR-UHFFFAOYSA-N