Basic Information | Post buying leads | Suppliers |
Name |
Boc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid |
EINECS | N/A |
CAS No. | 270062-90-3 | Density | 1.122 g/cm3 |
PSA | 75.63000 | LogP | 3.29640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H23NO4 | Boiling Point | 460.395 °C at 760 mmHg |
Molecular Weight | 293.36 | Flash Point | 232.239 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3S)-4-(2-Methylphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid; |
The Boc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid is an organic compound with the formula C16H23NO4. The IUPAC name of this chemical is (3S)-3-amino-4-(2-methylphenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid. With the CAS registry number 270062-90-3, it is also named as (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(2-methylphenyl)butanoic acid. The product's categories are 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino.
Physical properties about Boc-(S)-3-Amino-4-(2-methylphenyl)butanoic acid are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 19.69; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 130.29; (7)ACD/KOC (pH 7.4): 2.14; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 79.91 cm3; (14)Molar Volume: 261.4 cm3; (15)Polarizability: 31.68×10-24cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.122 g/cm3; (18)Flash Point: 232.2 °C; (19)Enthalpy of Vaporization: 75.98 kJ/mol; (20)Boiling Point: 460.4 °C at 760 mmHg; (21)Vapour Pressure: 2.85E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](Cc1ccccc1C)CC(=O)O
(2)InChI: InChI=1/C16H23NO4/c1-11-7-5-6-8-12(11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
(3)InChIKey: USTHBHOCUVYEFP-ZDUSSCGKBJ
(4)Std. InChI: InChI=1S/C16H23NO4/c1-11-7-5-6-8-12(11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
(5)Std. InChIKey: USTHBHOCUVYEFP-ZDUSSCGKSA-N