4-(2-Aminoethyl)benzoic acid tert-butyl ester supplier

Name
4-(2-Aminoethyl)benzoic acid tert-butyl ester
EINECS
CAS No. 135482-70-1
Article Data1
CAS DataBase
Density 1.037 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₉NO₂
Boiling Point 326.6 °C at 760 mmHg
Molecular Weight 221.30
Flash Point 176.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2-Aminoethyl)benzoic acid tert-butyl ester;
PSA 52.32000
LogP 2.84340

4-(2-Aminoethyl)benzoic acid tert-butyl ester Specification

The 4-(2-Aminoethyl)benzoic acid tert-butyl ester with the CAS number 135482-70-1 is also called Benzoic acid,4-(2-aminoethyl)-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-(2-aminoethyl)benzoate. Its molecular formula is C₁₃H₁₉NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-(2-Aminoethyl)benzoic acid tert-butyl ester are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.56; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.3; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 52.32Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 64.97 cm³; (14)Molar Volume: 213.3 cm³; (15)Polarizability: 25.7×10^-24cm³; (16)Surface Tension: 38.6 dyne/cm; (17) Enthalpy of Vaporization: 56.89 kJ/mol; (18)Vapour Pressure: 0.000213 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCc1ccc(cc1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H19NO2/c1-13(2,3)16-12(15)11-6-4-10(5-7-11)8-9-14/h4-7H,8-9,14H2,1-3H3
(3)InChIKey: JUHIVHQBWAWQOM-UHFFFAOYAS

Product Name

4-(2-Aminoethyl)benzoic acid tert-butyl ester

4-(2-Aminoethyl)benzoic acid tert-butyl ester Specification

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