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

Fmoc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Fmoc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid

EINECS N/A
CAS No. 270062-91-4 Density 1.236 g/cm3
PSA 75.63000 LogP 5.31040
Solubility N/A Melting Point N/A
Formula C26H25NO4 Boiling Point 644.13 °C at 760 mmHg
Molecular Weight 415.48 Flash Point 343.358 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 270062-91-4 (FMOC-(S)-3-AMINO-4-(2-METHYL-PHENYL)-BUTYRIC ACID) Hazard Symbols N/A
Synonyms

(S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(2-methylphenyl)butanoic acid;

 

Fmoc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid Specification

The IUPAC name of Fmoc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid is (3S)-3-amino-5-(9H-fluoren-9-ylmethoxy)-4-(2-methylphenyl)-5-oxopentanoic acid. With the CAS registry number 270062-91-4, it is also named as Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-,(bS)-. The product's categories are 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. Besides, this chemical should be stored 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. In addition, its molecular formula is C26H25NO4 and its molecular weight is 415.48.

The other characteristics of Fmoc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid can be summarized as: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 1325.36; (6)ACD/BCF (pH 7.4): 21.95; (7)ACD/KOC (pH 5.5): 2602.85; (8)ACD/KOC (pH 7.4): 43.11; (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: 1.618; (14)Molar Refractivity: 117.85 cm3; (15)Molar Volume: 336.2 cm3; (16)Polarizability: 46.72×10-24cm3; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.235 g/cm3; (19)Flash Point: 343.4 °C; (20)Enthalpy of Vaporization: 99.88 kJ/mol; (21)Boiling Point: 644.1 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4C
(2)InChI:InChI=1/C26H25NO4/c1-17-8-2-3-9-18(17)14-19(15-25(28)29)27-26(30)31-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m0/s1
(3)InChIKey:YOSGJRFPFRIFNX-IBGZPJMEBL
(4)Std. InChI:InChI=1S/C26H25NO4/c1-17-8-2-3-9-18(17)14-19(15-25(28)29)27-26(30)31-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m0/s1
(5)Std. InChIKey:YOSGJRFPFRIFNX-IBGZPJMESA-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 270062-91-4