ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE
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ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE
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CAS No:
141642-82-2
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Formula:
C14H23NO5
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Chemical Name:
ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE
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Synonyms:
ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE;Hexahydro-5-oxo-1H-azepine-1,4-dicarboxylicacid1-tert-butyl4-ethyldiester;1-TERT-BUTYL 4-ETHYL-5-OXOAZEPANE-1,4-DICARBOXYLATE;5-oxo-azepane-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester;Ethyl 1- Boc-5-oxoazepane-4-carboxylate;ETHYL-1-BOC-OXO-HEXA-HYDRO-1H-AZEPINE-4-CARBOXYLATE;1H-Azepine-1,4-dicarboxylicacid, hexahydro-5-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester;Tert-Butyl 4-(ethoxycarbonyl)-5-oxoazepane-1-carboxylate
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CAS No:
ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE Basic Attributes
285.34
285.157623
DTXSID80403277
2933990090
Characteristics
72.9
1.30
1.127±0.06 g/cm3(Predicted)
380.8±42.0 °C(Predicted)
184.1±27.9 °C
1.479
5.33E-06mmHg at 25°C
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:285.34
XLogP3:1.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:285.15762283
Monoisotopic Mass:285.15762283
Topological Polar Surface Area:72.9
Heavy Atom Count:20
Complexity:386
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE
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