CAS No.35737-10-1,FMOC-b-Ala-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35737-10-1
Name:	FMOC-b-Ala-OH
Article Data:	2

Formula:	C₁₈H₁₇NO₄
Molecular Weight:	311.337
Synonyms:	3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate;N-(9-Fluorenylmethoxycarbonyl)-beta-alanine;Fmoc-β-Alanine;Fmoc-βAla-OH;Fmoc-b-Ala-OH;
Density:	1.284 g/cm³
Melting Point:	142-147 °C
Boiling Point:	555.8 °C at 760 mmHg
Flash Point:	290 °C
Solubility:	Soluble in water and 1% acetic acid.
Appearance:	white to light yellow crystal powder
Safety:	22-24/25
PSA:	75.63000
LogP:	3.39070

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Specification

The IUPAC name of Fmoc-beta-Alanine is 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. With the CAS registry number 35737-10-1, it is also named as N-(9-Fluorenylmethoxycarbonyl)-beta-alanine. The product's categories are Amino Acids; β-Alanine [β-Ala]; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. Besides, it is white to light yellow crystal powder, which should be stored in closed, cool and dry place at 2-8 °C. In addition, its molecular formula is C₁₈H₁₇NO₄ and molecular weight is 311.34. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 10.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 82.57; (8)ACD/KOC (pH 7.4): 1.38; (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: 1.609; (14)Molar Refractivity: 83.95 cm³; (15)Molar Volume: 242.3 cm³; (16)Polarizability: 33.28×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.284 g/cm³; (19)Flash Point: 290 °C; (20)Melting point: 146-148 °C; (21)Enthalpy of Vaporization: 88.1 kJ/mol; (22)Boiling Point: 555.8 °C at 760 mmHg; (23)Vapour Pressure: 3.43E-13 mmHg at 25 °C.

Preparation of Fmoc-beta-Alanine: this chemical can be prepared by β-Alanine and 9H-Fluoren-9-ylmethyl chloroformate.

This reaction needs 10percent aq. Na₂CO₃and Dioxane at room temperature for 3 hours. The yield is 97 %.

Uses of Fmoc-beta-Alanine: it can react with 4-Nitro-phenol to get N-(9-Fluorenylmethoxycarbonyl)-b-alanine p-nitrophenyl ester.

This reaction needs Dicyclohexylcarbodiimide and Dioxane at ambient temperature for 24 hours. The yield is 95 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)CCNC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)
(3)InChIKey: LINBWYYLPWJQHE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C18H17NO4/c20-17(21)9-10-19-18(22)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,22)(H,20,21)
(5)Std. InChIKey: LINBWYYLPWJQHE-UHFFFAOYSA-N