3-N-Boc-amino-3-(2-fluorophenyl)propionic acid supplier

Name
3-N-BOC-3-(2-FLUOROPHENYL)PROPIONIC ACID
EINECS -0
CAS No. 284493-56-7
Article Data1
CAS DataBase
Density 1.214g/cm³
Solubility
Melting Point 142-144°C
Formula C₁₄H₁₈FNO₄
Boiling Point 419.8°Cat760mmHg
Molecular Weight 283.3
Flash Point 207.7°C
Transport Information
Appearance
Safety Safety Statements 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(BOC-AMINO)-3-(2-FLUOROPHENYL)PROPIONIC ACID, 98+%;
PSA 75.63000
LogP 3.25710

3-N-Boc-amino-3-(2-fluorophenyl)propionic acid Specification

The 3-N-Boc-amino-3-(2-fluorophenyl)propionic acid with cas registry number of 284493-56-7, has the systematic name of 3-[(tert-butoxycarbonyl)amino]-3-(2-fluorophenyl)propanoic acid. And it is also named 3-(Boc-amino)-3-(2-fluorophenyl)propionic acid, 98+%. When use it, please avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 3.36; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.28; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 70.49 cm³; (15)Molar Volume: 233.2 cm³; (16)Polarizability: 27.94×10^-24cm³; (17)Surface Tension: 43.2 dyne/cm; (18)Enthalpy of Vaporization: 71.01 kJ/mol; (19)Vapour Pressure: 8.49E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1C(NC(=O)OC(C)(C)C)CC(=O)O;
(2)InChI: InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);
(3)InChIKey: RJWRQSGZCKYLML-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);
(5)Std. InChIKey: RJWRQSGZCKYLML-UHFFFAOYSA-N

Product Name

3-N-BOC-3-(2-FLUOROPHENYL)PROPIONIC ACID

3-N-Boc-amino-3-(2-fluorophenyl)propionic acid Specification

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