Ethyl 1H-indole-2-carboxylate
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Ethyl 1H-indole-2-carboxylate
structure -
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CAS No:
3770-50-1
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Formula:
C11H11NO2
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Chemical Name:
Ethyl 1H-indole-2-carboxylate
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Synonyms:
1H-Indole-2-carboxylic acid,ethyl ester;Indole-2-carboxylic acid,ethyl ester;Ethyl 1H-indole-2-carboxylate;Ethyl indole-2-carboxylate;2-Carbethoxyindole;2-Ethoxycarbonylindole;NSC 10076
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CAS No:
Ethyl 1H-indole-2-carboxylate Basic Attributes
189.21
189.21
223-206-4
WR9Y4AXI3Q
10076
DTXSID60191140
2933990090
Characteristics
42.1
3.2
slightly off-white to off-white crystalline powder
1.2±0.1 g/cm3
122-125 °C
342.4°C at 760 mmHg
160.9±20.4 °C
1.621
0-6ºC
Safety Information
NONH for all modes of transport
3
S24/25
Stable under normal temperatures and pressures.
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Ethyl 1H-indole-2-carboxylate Use and Manufacturing
Reactant for preparation of:• ;CRTH2 receptor antagonists1• ;Indoleamine 2,3-dioxygenase (IDO) inhibitors2• ;Cannabinoid CB1 receptor antagonists3• ;Inhibitors of Human Reticulocyte 15-Lipoxygenase-14• ;N-(benzoylphenyl)-1H-indole-2-carboxamides as potent antihypertriglyceridemic agents5• ;A antiproliferative agent against human leukemia K562 cells6• ;Inhibitors of p38 MAP kinase7• ;Acetolactate synthase inhibitors8 Reactant for preparation of:CRTH2 receptor antagonists;Indoleamine 2,3-dioxygenase (IDO) inhibitors;Cannabinoid CB1 receptor antagonists; Inhibitors of Human Reticulocyte 15-Lipoxygenase-1;N-(benzoylphenyl)-1H-indole-2-carboxamides as potent antihypertriglyceridemic agents;A antiproliferative agent against human leukemia K562 cells;Inhibitors of p38 MAP kinase; Acetolactate synthase inhibitors.
Computed Properties
Molecular Weight:189.21
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:189.078978594
Monoisotopic Mass:189.078978594
Topological Polar Surface Area:42.1
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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