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790227-48-4

Basic Information
CAS No.: 790227-48-4
Name: 4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid
Molecular Structure:
Molecular Structure of 790227-48-4 (4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid)
Formula: C15H21NO4
Molecular Weight: 279.33
Synonyms: 4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-2-phenylbutanoicacid;
Density: 1.137 g/cm3
Boiling Point: 445.1 °C at 760 mmHg
Flash Point: 223 °C
PSA: 75.63000
LogP: 3.16050
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  • Benzeneacetic acid, a-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]- CAS 790227-48-4

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    790227-48-4

    Benzeneacetic acid, a-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]- CAS 790227-48-4

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  • Benzeneacetic acid, a-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-

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  • 790227-48-4 4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid

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    790227-48-4

    790227-48-4 4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid

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  • 4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid

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    4-[(tert-Butoxycarbonyl)amino]-2-phenylbutanoic acid

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  • Benzeneacetic acid, a-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-

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    Benzeneacetic acid, a-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-

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  • 4-[(BOC-)AMINO]-2-PHENYLBUTANOIC ACID

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  • 4-(tert-butoxycarbonyl)-2-phenylbutanoic acid

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  • 4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-2-phenylbutanoic acid

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    790227-48-4

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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).