CAS No.94744-50-0,Fmoc-Aib-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	94744-50-0
Name:	Fmoc-Aib-OH
Article Data:	7

Formula:	C₁₉H₁₉NO₄
Molecular Weight:	325.364
Synonyms:	2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionicacid;N-9-Fluorenylmethoxycarbonyl-a-aminoisobutyric acid;N-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-2-methylalanine;
EINECS:	619-072-5
Density:	1.256 g/cm³
Melting Point:	182-188 °C
Boiling Point:	544.3 °C at 760 mmHg
Flash Point:	283 °C
Safety:	22-24/25
PSA:	75.63000
LogP:	3.77920

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Specification

The Fmoc-alpha-methylalanine, with CAS registry number 94744-50-0, belongs to the following product categories: (1)Amino Acids; (2)Unusual Amino Acids; (3)Amino Acids 13C, 2H, 15N; (4)Amino Acid Derivatives; (5)Intermediates & Fine Chemicals; (6)Pharmaceuticals . It has the systematic name of 2-amino-4-(9H-fluoren-9-ylmethoxy)-2-methyl-4-oxo-butanoic acid. This chemical should be stored at the temperature of 2-8°C. When use it, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Fmoc-alpha-methylalanine: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.597; (4)ACD/LogD (pH 7.4): 1.407; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 1.587; (7)ACD/KOC (pH 5.5): 13.156; (8)ACD/KOC (pH 7.4): 8.485; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 89.62 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 88.494 cm³; (15)Molar Volume: 253.765 cm³; (16)Polarizability: 35.082×10^-24cm³; (17)Surface Tension: 58.123 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 281.821 °C; (20)Enthalpy of Vaporization: 86.351 kJ/mol; (21)Boiling Point: 542.379 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 9H-fluoren-9-ylmethyl chloroformate and 2-Amino-isobuttersaeure*HCl. This reaction will need reagents H₂O, Na₂CO₃ and solvent dioxane. The reaction time is 16 hour(s). The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(CC(=O)OCC1c2ccccc2-c3c1cccc3)(C(=O)O)N
(2)InChI: InChI=1/C19H19NO4/c1-19(20,18(22)23)10-17(21)24-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11,20H2,1H3,(H,22,23)
(3)InChIKey: HHKUVJAKUATCOG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C19H19NO4/c1-19(20,18(22)23)10-17(21)24-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11,20H2,1H3,(H,22,23)
(5)Std. InChIKey: HHKUVJAKUATCOG-UHFFFAOYSA-N