Structure

Benexate

CAS
78718-52-2
Catalog Number
ACM78718522
Category
Other Products
Molecular Weight
409.48
Molecular Formula
C23H27N3O4

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Specification

Synonyms
BENEXATE;benexate hydrochloride beta-cyclodextrin clathrate;Benxate;Benzoic acid, 2-[[[4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, trans-;Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbony
IUPAC Name
benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate
Canonical SMILES
C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3
InChI Key
IAXUQWSLRKIRFR-UHFFFAOYSA-N
Boiling Point
582.7ºC at 760 mmHg
Flash Point
306.2ºC
Density
1.26g/cm³
Exact Mass
409.20000
H-Bond Acceptor
7
H-Bond Donor
2
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