Butixirate
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Butixirate
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CAS No:
19992-80-4
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Formula:
C16H16O2.C12H17N
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Chemical Name:
Butixirate
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Synonyms:
[1,1′-Biphenyl]-4-acetic acid,α-ethyl-,compd. with trans-4-phenylcyclohexanamine (1:1);4-Biphenylacetic acid,α-ethyl-,compd. with 4-phenylcyclohexylamine (1:1),trans-;Cyclohexylamine,4-phenyl-,α-ethyl-4-biphenylacetate,trans-;Cyclohexanamine,4-phenyl-,trans-,α-ethyl[1,1′-biphenyl]-4-acetate;Flectar;MG 5771;Butixirate;Xenbucin phenylcyclohexylamine;2-(Biphenyl-4-yl)butyric acid (trans-4-phenylcyclohexyl)amine salt
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CAS No:
Characteristics
63.3
7.30360
224-227 °C
400.1ºC at 760mmHg
296.9ºC
LD50 i.p. in mice: 183 mM/kg (Cantarelli)
Computed Properties
Molecular Weight:415.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:415.251129295
Monoisotopic Mass:415.251129295
Topological Polar Surface Area:63.3
Heavy Atom Count:31
Complexity:402
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes