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CAS No.: | 5094-33-7 |
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Name: | 4-AMINOPHENYL-BETA-D-GALACTOPYRANOSIDE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C12H17NO6 |
Molecular Weight: | 271.27 |
Synonyms: | Galactopyranoside,p-aminophenyl (7CI);Galactopyranoside, p-aminophenyl, β-D- (8CI);4-Aminophenyl β-D-galactopyranoside;4-Aminophenyl-β-D-galactoside;NSC 87909;p-Aminophenyl galactoside;p-Aminophenyl β-D-galactopyranoside;p-Aminophenyl β-D-galactoside;p-Aminophenyl β-galactopyranoside; |
EINECS: | 1533716-785-6 |
Density: | 1.517 g/cm3 |
Melting Point: | 163 °C |
Boiling Point: | 555.9 °C at 760 mmHg |
Flash Point: | 290 °C |
Solubility: | Freely soluble in water |
Appearance: | off-white powder |
PSA: | 125.40000 |
LogP: | -0.97130 |
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The β-D-Galactopyranoside,4-aminophenyl, with the CAS registry number 5094-33-7, is also known as p-Aminophenyl β-D-galactopyranoside. It belongs to the product categories of Substrates; Biochemistry; Galactose; Glycosides; Sugars; Carbohydrates; Carbohydrates A-C; Biochemicals and Reagents; Monosaccharide. This chemical's molecular formula is C12H17NO6 and molecular weight is 271.27. What's more, its systematic name is 4-aminophenyl β-D-galactopyranoside. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of β-D-Galactopyranoside,4-aminophenyl are: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.96; (8)ACD/KOC (pH 7.4): 2.34; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 58.62 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 66.19 cm3; (15)Molar Volume: 178.7 cm3; (16)Polarizability: 26.24×10-24cm3; (17)Surface Tension: 73.2 dyne/cm; (18)Density: 1.517 g/cm3; (19)Flash Point: 290 °C; (20)Enthalpy of Vaporization: 88.1 kJ/mol; (21)Boiling Point: 555.9 °C at 760 mmHg; (22)Vapour Pressure: 3.43E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(N)cc1)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
(2)InChI: InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12-/m1/s1
(3)InChIKey: MIAKOEWBCMPCQR-YBXAARCKSA-N