2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)-
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2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)-
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CAS No:
848133-35-7
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Formula:
C6H11NO2.ClH
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Chemical Name:
2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)-
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Synonyms:
2-Butenoic acid,4-(dimethylamino)-,hydrochloride (1:1),(2E)-;2-Butenoic acid,4-(dimethylamino)-,hydrochloride,(2E)-;(E)-4-(Dimethylamino)-2-butenoic acid hydrochloride;(2E)-4-(Dimethylamino)-2-butenoic acid hydrochloride;(2E)-4-(Dimethylamino)but-2-enoic acid hydrogenchloride
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CAS No:
2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)- Basic Attributes
165.62
165.055649
1592732-453-0
2922499990
Safety Information
P264, P280, P305+P351+P338, P33, P313
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.|Danger|H314 (92.31%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 3 notifications to the ECHA C&L Inventory.
2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)- Use and Manufacturing
Reagent used in the preparation of tyrosine kinase inhibiting antitumor agents.Organic synthesis intermediate, lenatinib intermediate, afatinib intermediate
Computed Properties
Molecular Weight:165.62
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:165.0556563
Monoisotopic Mass:165.0556563
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Complexity:118
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)-
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