-
Name
4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid
- EINECS
- CAS No. 790227-48-4
- Density 1.137 g/cm3
- Solubility
- Melting Point
- Formula C15H21NO4
- Boiling Point 445.1 °C at 760 mmHg
- Molecular Weight 279.33
- Flash Point 223 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-2-phenylbutanoicacid;
- PSA 75.63000
- LogP 3.16050
4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid 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.
1.SMILES: CC(C)(C)OC(=O)NCCC(c1ccccc1)C(=O)O
2.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)
3.InChIKey:LJKXZQCKJUQMLW-UHFFFAOYAR
4.Std. InChI:InChI=1S/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).
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