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Fmoc-(S)-3-Amino-4-(3-methylphenyl)butyric acid

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Name

Fmoc-(S)-3-Amino-4-(3-methylphenyl)butyric acid

EINECS N/A
CAS No. 270062-94-7 Density 1.236 g/cm3
PSA 75.63000 LogP 5.31040
Solubility N/A Melting Point N/A
Formula C26H25NO4 Boiling Point 641.75 °C at 760 mmHg
Molecular Weight 415.48 Flash Point 341.918 °C
Transport Information N/A Appearance N/A
Safety 24/25-26 Risk Codes N/A
Molecular Structure Molecular Structure of 270062-94-7 (FMOC-(S)-3-AMINO-4-(3-METHYL-PHENYL)-BUTYRIC ACID) Hazard Symbols N/A
Synonyms

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

 

Fmoc-(S)-3-Amino-4-(3-methylphenyl)butyric acid Specification

The Fmoc-(S)-3-Amino-4-(3-methylphenyl)butyric acid with the CAS number 270062-94-7 is also called Benzenebutanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methyl-,(bS)-. The systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(3-methylphenyl)butanoic acid. Its molecular formula is C26H25NO4. This chemical belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino. While using this chemical, you should take the following instructions. Firstly you should avoid this chemical contact with skin and eyes. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

The properties of the chemical are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.84; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 1404.5; (6)ACD/BCF (pH 7.4): 23.06; (7)ACD/KOC (pH 5.5): 2758.28; (8)ACD/KOC (pH 7.4): 45.3; (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)Enthalpy of Vaporization: 99.55 kJ/mol; (19)Vapour Pressure: 2.39×10-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4cccc(c4)C
(2)InChI: InChI=1/C26H25NO4/c1-17-7-6-8-18(13-17)14-19(15-25(28)29)27-26(30)31-16-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m0/s1
(3)InChIKey: UKIDBCGNTDOQRO-IBGZPJMEBE

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