2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate
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![2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/99e14ec8535c40efaa83d64c2f0cfbd6.png "2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate")
2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate
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CAS No:
73003-78-8
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Formula:
C21H33NO6
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Chemical Name:
2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate
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Synonyms:
1H-Azepine-1-propanoic acid,hexahydro-,2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl ester;1H-Azepine-1-propanoic acid,hexahydro-,2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]butyl ester;2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate;Photomer 4250;2093326-85-1
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CAS No:
2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate Basic Attributes
395.5
395.49
DTXSID2072708
Safety Information
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|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate Use and Manufacturing
Intermediates
Ink, toner, and colorant products
Paint and coating manufacturing|1H-Azepine-1-propanoic acid, hexahydro-, 2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl ester: ACTIVE
Computed Properties
Molecular Weight:395.5
XLogP3:3.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:15
Exact Mass:395.23078777
Monoisotopic Mass:395.23078777
Topological Polar Surface Area:82.1
Heavy Atom Count:28
Complexity:513
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl 13-(hydroxymethyl)-10,16-dioxo-13-[[(1-oxo-2-propen-1-yl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate
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2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl 13-ethyl-10,16-dioxo-13-[[(1-oxo-2-propen-1-yl)oxy]methyl]-11,15-dioxa-2,9-diazaoctadec-17-enoate Formula
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Ethyl hexahydro-1H-azepine-1-propanoate Formula
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2,2-Bis[[(1-oxo-2-propen-1-yl)oxy]methyl]butyl hexahydro-1H-azepine-1-propanoate
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