Boc-(S)-3-Amino-4-(4-trifluoromethylphenyl)butyric acid supplier

Name
BOC-(S)-3-AMINO-4-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRIC ACID
EINECS
CAS No. 270065-80-0
Density 1.246 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₀F₃NO₄
Boiling Point 449.7 °C at 760 mmHg
Molecular Weight 347.334
Flash Point 225.8 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoicacid;(3S)-3-[(tert-butoxycarbonyl)amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid;(S)-3-(Boc-amino)-4-[4-(trifluoromethyl)phenyl]butyric acid;(S)-Boc-2-(trifluoromethyl)-β-Homophe-OH;Boc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid;Boc-4-(trifluoromethyl)-L-β-homophenylalanine;
PSA 75.63000
LogP 4.00680

Boc-(S)-3-Amino-4-(4-trifluoromethylphenyl)butyric acid Specification

The Boc-(S)-3-Amino-4-(4-Trifluoromethyl-Phenyl)-Butyric Acid, with the CAS registry number 270065-80-0, has the systematic name of (3S)-3-[(tert-butoxycarbonyl)amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid. It belongs to the following product categories: 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. And the molecular formula of the chemical is C₁₆H₂₀F₃NO₄. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Boc-(S)-3-Amino-4-(4-Trifluoromethyl-Phenyl)-Butyric Acid are as followings: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 21.64; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 135.44; (8)ACD/KOC (pH 7.4): 2.26; (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: 1.486; (14)Molar Refractivity: 80.07 cm³; (15)Molar Volume: 278.6 cm³; (16)Polarizability: 31.74×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 225.8 °C; (20)Enthalpy of Vaporization: 74.66 kJ/mol; (21)Boiling Point: 449.7 °C at 760 mmHg; (22)Vapour Pressure: 7.1E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C[C@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-4-6-11(7-5-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m0/s1
(3)InChIKey: UKFKHDUXBBWVHB-LBPRGKRZBF

Product Name

BOC-(S)-3-AMINO-4-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRIC ACID

Boc-(S)-3-Amino-4-(4-trifluoromethylphenyl)butyric acid Specification

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