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Adapalene Methyl Ester

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Adapalene Methyl Ester / CAS : 106685-41-0

Appearance White to off white crystal UN -
HS 29189900 DG Class -
Synonyms Mehtyl 6-[3-(1-Adamanty)-4-Methoxy Phenyl]-2-Naphthoate; Methyl 6-[3-(1-Adamantyl)-4-Methoxyphenyl]Naphthalene-2-Carboxylate; Methyl 6-[3-(1-Adamantyl)-4-Methoxyphenyl]-2-Naphthoate; Adapalene Related Compound B; Methyl 6-(3-(Adamantan-1-Yl)-4-Methoxyphenyl)-2-Naphthoate; 6-[3-(1-Adamantyl-4-Methoxyphenyl]-2-Naphthatemethylester; Mehtyl 6-[3-(1-Adamanty)-4-Methoxy
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Properties

Summary

Formula
C29H30O3
Molecular Mass
426.54700
Exact Mass
426.21900
PSA
35.53000
Logp
6.76980
IUPAC
methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
223-225°C
Density
1.186 g/cm3
Boiling Point
589.632ºC
Flash Point
258.722ºC
Appearance
White to off white crystal
Acidity and Basicity
neutral

Export information

HS Code
29189900
Export Rebate
13%
Risk Code
R36/38
Safety Label
Xi

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