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Basic Information
CAS No.: 81196-09-0
Name: BOC-(4-AMINOPHENYL)ACETIC ACID
Molecular Structure:
Molecular Structure of 81196-09-0 (BOC-(4-AMINOPHENYL)ACETIC ACID)
Formula: C13H17NO4
Molecular Weight: 251.282
Synonyms: 2-(4-Aminophenyl)-3-tert-butoxy-3-oxopropanoic acid;propanedioic acid, 2-(4-aminophenyl)-, mono(1,1-dimethylethyl) ester;
Density: 1.219 g/cm3
Boiling Point: 417.6 °C at 760 mmHg
Flash Point: 206.3 °C
PSA: 75.63000
LogP: 2.73370
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Chemistry

Molecular Structure of Boc-4-aminophenylacetic acid (CAS NO.81196-09-0):

Empirical Formula: C13H17NO4
Molecular Weight: 251.2784
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 89.62 Å2
Index of Refraction: 1.559
Molar Refractivity: 66.51 cm3
Molar Volume: 205.9 cm3
Surface Tension: 50.4 dyne/cm
Density: 1.219 g/cm3
Flash Point: 206.3 °C
Enthalpy of Vaporization: 70.74 kJ/mol
Boiling Point: 417.6 °C at 760 mmHg
Vapour Pressure: 1.01E-07 mmHg at 25°C
Storage temp: Store at 0-5°C
Product Categories: Carboxylic Acids; Phenyls & Phenyl-Het
SMILES: Nc1ccc(cc1)C(C(=O)OC(C)(C)C)C(O)=O
InChI: InChI=1/C13H17NO4/c1-13(2,3)18-12(17)10(11(15)16)8-4-6-9(14)7-5-8/h4-7,10H,14H2,1-3H3,(H,15,16)

Safety Profile

HazardClass: Irritant

Specification

  Boc-4-aminophenylacetic acid , with CAS number of 81196-09-0, can be called propanedioic acid, 2-(4-aminophenyl)-, mono(1,1-dimethylethyl) ester ; 2-(4-Aminophenyl)-3-tert-butoxy-3-oxopropanoic acid .