Benzenepropanoic acid,4-chloro-b-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]- supplier

Name
FMOC-BACLOFIN
EINECS
CAS No. 186320-20-7
Density 1.311 g/cm³
Solubility
Melting Point
Formula C₂₅H₂₂ClNO₄
Boiling Point 659.1 °C at 760 mmHg
Molecular Weight 435.8995
Flash Point 352.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Fmoc-4-Amino-3-(4-chlorophenyl)butanoic acid);
PSA 75.63000
LogP 5.82790

Benzenepropanoic acid,4-chloro-b-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]- Specification

The Benzenepropanoic acid,4-chloro-b-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, with the CAS registry number 186320-20-7, is also known as Fmoc-4-Amino-3-(4-chlorophenyl)butanoic acid). This chemical's molecular formula is C₂₅H₂₂ClNO₄ and molecular weight is 435.8995. What's more, its IUPAC name is 3-(4-Chlorophenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.

Physical properties about Benzenepropanoic acid,4-chloro-b-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]- are: (1)ACD/LogP: 5.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.73; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 1234.52; (6)ACD/BCF (pH 7.4): 19.68; (7)ACD/KOC (pH 5.5): 2715.91; (8)ACD/KOC (pH 7.4): 43.29; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 117.97 cm³; (15)Molar Volume: 332.2 cm³; (16)Polarizability: 46.76×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 352.4 °C; (20)Enthalpy of Vaporization: 101.92 kJ/mol; (21)Boiling Point: 659.1 °C at 760 mmHg; (22)Vapour Pressure: 2.88E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(CC(=O)O)CNC(=O)OCC4c2ccccc2c3c4cccc3
(2) InChI: InChI=1/C25H22ClNO4/c26-18-11-9-16(10-12-18)17(13-24(28)29)14-27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,17,23H,13-15H2,(H,27,30)(H,28,29)
(3) InChIKey: QBZLIPNTUZDPQK-UHFFFAOYAU

Product Name

FMOC-BACLOFIN

Benzenepropanoic acid,4-chloro-b-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]- Specification

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