Benzoic acid,5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]- supplier

Name
4Acetamido-2carboxy-4-dimethylamino-2-hydroxybenzophenone
EINECS
CAS No. 166442-36-0
Article Data1
CAS DataBase
Density 1.371 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(acetylamino)-2-{[4-(dimethylamino)-2-hydroxyphenyl]carbonyl}benzoic acid;
PSA 106.94000
LogP 2.41880

Benzoic acid,5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]- Specification

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

Product Name

4Acetamido-2carboxy-4-dimethylamino-2-hydroxybenzophenone

Benzoic acid,5-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]- Specification

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