CAS No.133865-88-0,(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133865-88-0
Name:	(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide

Formula:	C₁₇H₁₉FN₂O₂
Molecular Weight:	302.34
Synonyms:	Propanamide,2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-, (S)-;(S)-2-[[4-[(2-Fluorobenzyl)oxy]benzyl]amino]propanamide;(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;Propanamide,2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-;
EINECS:	200-582-5
Density:	1.189 g/cm³
Boiling Point:	479 °C at 760 mmHg
Flash Point:	243.5 °C
PSA:	55.56000
LogP:	3.41500

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Specification

1. Introduction of Ralfinamide
Ralfinamide is one kind of powder. The IUPAC name of this chemical is (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide. Besides, this chemical belongs to the following classification codes: (1)Analgesic ; (2)Sodium Channel Blocker. In addition, it is a Sodium Channel Blocker.

2. Properties of Ralfinamide
The properties of the Ralfinamide are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 2.63; (6)ACD/BCF (pH 7.4): 31.76; (7)ACD/KOC (pH 5.5): 32.76; (8)ACD/KOC (pH 7.4): 395.93; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 83.34 cm³; (15)Molar Volume: 254.1 cm³; (16)Polarizability: 33.04×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Enthalpy of Vaporization: 74.32 kJ/mol; (19)Vapour Pressure: 2.46×10^-9 mmHg at 25°C.

3. Structure Descriptors of Ralfinamide
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](NCc2ccc(OCc1ccccc1F)cc2)C
(2)InChI: InChI=1/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
(3)InChIKey: BHJIBOFHEFDSAU-LBPRGKRZBM
(4)Canonical SMILES: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F
(5)Isomeric SMILES: C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F

4. Uses of Ralfinamide
Ralfinamide is a blocker of sodium channels. It is also an innovative therapeutic agent for neuropathic and inflammatory pain.