Cyclohexaneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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Cyclohexaneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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CAS No:
14601-95-7
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Formula:
C16H31NO2.C6H8O7
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Chemical Name:
Cyclohexaneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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Synonyms:
Cyclohexaneacetic acid,α-ethyl-,2-(diethylamino)ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Cyclohexaneacetic acid,α-ethyl-,2-(diethylamino)ethyl ester citrate (1:1);Butyric acid,2-cyclohexyl-,2-(diethylamino)ethyl ester,citrate (1:1);Hexetylamine citrate;NSC 81271
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CAS No:
Cyclohexaneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) Basic Attributes
461.5 g/mol
461.26248182 g/mol
81271
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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:461.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:461.26248182
Monoisotopic Mass:461.26248182
Topological Polar Surface Area:162
Heavy Atom Count:32
Complexity:473
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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