| Identification | |
| Name: | Benzoic acid,4-(2-aminoethyl)-, 1,1-dimethylethyl ester |
| Synonyms: | 4-(2-Aminoethyl)benzoic acid tert-butyl ester; |
| CAS: | 135482-70-1 |
| Molecular Formula: | C13H19NO2 |
| Molecular Weight: | 221.30 |
| 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 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.037 g/cm3 |
| Refractive index: | 1.52 |
| 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: |
| Safety Data | |
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