CAS No.130406-30-3,FMOC-D-PHENYLALANINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130406-30-3
Name:	FMOC-D-PHENYLALANINOL
Article Data:	5

Formula:	C₂₄H₂₃NO₃
Molecular Weight:	373.452
Synonyms:	Fmoc-d-Phenylalaninol;
Density:	1.219 g/cm³
Melting Point:	147 °C(Solv: ethyl acetate (141-78-6))
Boiling Point:	606.125 °C at 760 mmHg
Flash Point:	320.373 °C
PSA:	58.56000
LogP:	4.51960

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Specification

The Carbamic acid,N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-, 9H-fluoren-9-ylmethyl ester, with the CAS registry number of 130406-30-3, is also known as Fmoc-d-Phenylalaninol. Its molecular formula is C₂₄H₂₃NO₃ and molecular weight is 373.44. What's more, its systematic name is 9H-Fluoren-9-ylmethyl [(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate.

Physical properties about the Carbamic acid,N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-, 9H-fluoren-9-ylmethyl ester are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4294; (6)ACD/BCF (pH 7.4): 4294; (7)ACD/KOC (pH 5.5): 13868; (8)ACD/KOC (pH 7.4): 13866; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 58.56 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 108.372 cm³; (15)Molar Volume: 306.307 cm³; (16)Surface Tension: 53.701 dyne/cm; (17)Density: 1.219 g/cm³; (18)Flash Point: 320.373 °C; (19)Enthalpy of Vaporization: 94.74 kJ/mol; (20)Boiling Point: 606.125 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC3c1ccccc1c2c3cccc2)N[C@H](Cc4ccccc4)CO
(2) InChI: InChI=1/C24H23NO3/c26-15-18(14-17-8-2-1-3-9-17)25-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23,26H,14-16H2,(H,25,27)/t18-/m1/s1
(3) InChIKey: SJGBJASOHDROCR-GOSISDBHBO