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Name |
Benzoic acid,5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]- |
EINECS | N/A |
CAS No. | 166442-36-0 | Density | 1.371 g/cm3 |
PSA | 106.94000 | LogP | 2.41880 |
Solubility | N/A | Melting Point |
218-220 °C |
Formula | C18H18N2O5 | Boiling Point | 655.4 °C at 760 mmHg |
Molecular Weight | 342.351 | Flash Point | 350.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-(acetylamino)-2-{[4-(dimethylamino)-2-hydroxyphenyl]carbonyl}benzoic acid; |
Article Data | 1 |
The Benzoic acid,5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-, with its CAS registry number 166442-36-0, has its systematic name of 5-(acetylamino)-2-{[4-(dimethylamino)-2-hydroxyphenyl]carbonyl}benzoic acid. With its molecular formula of C18H18N2O5, it belongs to the product category of Miscellaneous Reagents. Besides, it is a kind of pale yellow powder and it is used as the synthetic intermediate.
Physical properties of Benzoic acid,5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 93.44 cm3; (15)Molar Volume: 249.5 cm3; (16)Polarizability: 37.04×10-24cm3; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 350.2 °C; (20)Enthalpy of Vaporization: 101.42 kJ/mol; (21)Boiling Point: 655.4 °C at 760 mmHg; (22)Vapour Pressure: 4.51E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(c1ccc(cc1O)N(C)C)c2ccc(NC(=O)C)cc2C(=O)O
(2)InChI:InChI=1/C18H18N2O5/c1-10(21)19-11-4-6-13(15(8-11)18(24)25)17(23)14-7-5-12(20(2)3)9-16(14)22/h4-9,22H,1-3H3,(H,19,21)(H,24,25)
(3)InChIKey:RLVHXZUZNQEOCM-UHFFFAOYAT