| Identification | |
| Name: | Benzeneacetic acid, a-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]- |
| Synonyms: | 4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-2-phenylbutanoicacid |
| CAS: | 790227-48-4 |
| Molecular Formula: | C15H21 N O4 |
| Molecular Weight: | 279.33 |
| InChI: | InChI=1/C15H21NO4/c1-15(2,3)20-14(19)16-10-9-12(13(17)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18) |
| Molecular Structure: | ![(C15H21NO4) 4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-2-phenylbutanoicacid](https://img1.guidechem.com/chem/e/dict/10/790227-48-4.jpg) |
| Properties | |
| Density: | 1.137 |
| Refractive index: | 1.524 |
| Specification: |
The cas register number of 4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid is 790227-48-4. It also can be called as 4-(Bocamino)-2-phenylbutanoic acid and the Systematic name about this chemical is benzeneacetic acid, alpha-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-. Physical properties about 4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid are: storage temp: (1)ACD/LogP: 2.91 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.52 ; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.63Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 75.13 cm3; (15)Molar Volume: 245.5 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.137 g/cm3; (18)Flash Point: 223 °C; (19)Enthalpy of Vaporization: 74.09 kJ/mol; (20)Boiling Point: 445.1 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-08 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
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