Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid

EINECS N/A
CAS No. 479064-91-0 Density 1.336 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C24H20ClNO4 Boiling Point 642.204 °C at 760 mmHg
Molecular Weight 421.87 Flash Point 342.193 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 479064-91-0 (Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid) Hazard Symbols N/A
Synonyms

(3S)-3-(4-Chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid;

 

Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid Specification

The IUPAC name of Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid is (3S)-3-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. With the CAS registry number 479064-91-0, it is also named as Benzenepropanoic acid,4-chloro-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-. The product's categories are 3-Amino-3-phenylpropionic Acid Analogs; 3-Amino-3-phenylpropanoic Acid Analogs; API intermediates; B-Amino. In addition, its molecular formula is C24H20ClNO4 and its molecular weight is 421.87.

The other characteristics of Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid can be summarized as: (1)ACD/LogP: 5.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 528.64; (6)ACD/BCF (pH 7.4): 9.35; (7)ACD/KOC (pH 5.5): 1223.06; (8)ACD/KOC (pH 7.4): 21.63; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 113.34 cm3; (15)Molar Volume: 315.7 cm3; (16)Polarizability: 44.93×10-24cm3; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.336 g/cm3; (19)Flash Point: 342.2 °C; (20)Enthalpy of Vaporization: 99.61 kJ/mol; (21)Boiling Point: 642.2 °C at 760 mmHg; (22)Vapour Pressure: 2.27E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1ccc(cc1)[C@@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI:InChI=1/C24H20ClNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
(3)InChIKey:VDMPMJZDURHZTB-QFIPXVFZBB
(4)Std. InChI:InChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
(5)Std. InChIKey:VDMPMJZDURHZTB-QFIPXVFZSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 479064-91-0