CAS No.160885-98-3,FMOC-L-VALINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	160885-98-3
Name:	FMOC-L-VALINOL
Article Data:	25

Formula:	C₂₀H₂₃NO₃
Molecular Weight:	325.408
Synonyms:	Carbamicacid, [(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 9H-fluoren-9-ylmethyl ester(9CI);Carbamic acid, [1-(hydroxymethyl)-2-methylpropyl]-,9H-fluoren-9-ylmethyl ester, (S)-;Fmoc-L-Valinol;(S)-2-(Fmoc-amino)-3-methyl-1-butanol;N-(9-Fluorenylmethoxycarbonyl)-L-valinol;
Density:	1.166 g/cm³
Melting Point:	129-133 °C
Boiling Point:	515.7 °C at 760 mmHg
Flash Point:	265.7 °C
Appearance:	white powder
Safety:	22-24/25
PSA:	58.56000
LogP:	3.93290

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Specification

The IUPAC name of Fmoc-L-Valinol is 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate. With the CAS registry number 160885-98-3, it is also named as N-(9-Fluorenylmethoxycarbonyl)-L-valinol. The product's categories are Amino Acids; Amino Alcohols; Fmoc-Amino Acid Series. In addition, its molecular formula is C₂₀H₂₃NO₃ and its molecular weight is 325.4. This chemical is white powder which should be stored in closed, ventilated and dry place at 2-8 °C. Moreover, 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-Valinol can be summarized as: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 849.51; (6)ACD/BCF (pH 7.4): 849.41; (7)ACD/KOC (pH 5.5): 4348.11; (8)ACD/KOC (pH 7.4): 4347.59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 93.1 cm³; (15)Molar Volume: 278.9 cm³; (16)Polarizability: 36.91×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 265.7 °C; (20)Melting Point: 129-133 °C; (21)Enthalpy of Vaporization: 82.92 kJ/mol; (22)Boiling Point: 515.7 °C at 760 mmHg; (23)Vapour Pressure: 1.85E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC3c1ccccc1c2c3cccc2)N[C@@H](C(C)C)CO
(2)InChI: InChI=1/C20H23NO3/c1-13(2)19(11-22)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23)/t19-/m1/s1
(3)InChIKey: MYMGENAMKAPEMT-LJQANCHMBB
(4)Std. InChI: InChI=1S/C20H23NO3/c1-13(2)19(11-22)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23)/t19-/m1/s1
(5)Std. InChIKey: MYMGENAMKAPEMT-LJQANCHMSA-N