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3689-20-1

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Basic Information
CAS No.: 3689-20-1
Name: NAPHTHOL AS-LT
Molecular Structure:
Molecular Structure of 3689-20-1 (NAPHTHOL AS-LT)
Formula: C19H17NO3
Molecular Weight: 307.349
Synonyms: 2-Naphth-p-anisidide,3-hydroxy-2'-methyl- (6CI,7CI,8CI);3-[N-(4-Methoxy-o-tolyl)carbamoyl]-2-naphthol;C.I. 37540;C.I. Azoic Coupling Component 24;Naphtanilide LT;Naphtazol LT;Naphthol AS-LT;Naphthol LT;Naphtol AS-LT;Solunaptol LT;
EINECS: 222-994-7
Density: 1.274 g/cm3
Boiling Point: 436.8 °C at 760 mmHg
Flash Point: 218 °C
PSA: 58.56000
LogP: 4.18770
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Specification

The 3-Hydroxy-4'-methoxy-2'-methyl-2-naphthanilide with the CAS number 3689-20-1 is also called 2-Naphthalenecarboxamide,3-hydroxy-N-(4-methoxy-2-methylphenyl)-. Both the systematic name and IUPAC name are 3-hydroxy-N-(4-methoxy-2-methylphenyl)naphthalene-2-carboxamide. Its EINECS registry number is 222-994-7. The molecular formula is C19H17NO3.

The properties of the chemical are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.88; (5)ACD/BCF (pH 5.5): 3169.96; (6)ACD/BCF (pH 7.4): 2930.87; (7)ACD/KOC (pH 5.5): 11154.83; (8)ACD/KOC (pH 7.4): 10313.47; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 92.05 cm3; (15)Molar Volume: 241.1 cm3; (16)Polarizability: 36.49×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Enthalpy of Vaporization: 72.01 kJ/mol; (19)Vapour Pressure: 3.06×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cc1c(cccc1)cc2O)Nc3ccc(OC)cc3C
(2)InChI: InChI=1/C19H17NO3/c1-12-9-15(23-2)7-8-17(12)20-19(22)16-10-13-5-3-4-6-14(13)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)
(3)InChIKey: BPLTYDPIHLNUAR-UHFFFAOYAT