5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Diydrochloride Hydrate - CAS 1422956-31-7
Catalog: |
BB073619 |
Product Name: |
5-(1-Piperazinyl)-2-Benzofurancarboxylic Acid Ethyl Ester Diydrochloride Hydrate |
CAS: |
1422956-31-7 |
Synonyms: |
5-(1-Piperazinyl)-2-benzofurancarboxylic acid ethyl ester dihydrochloride hydrate; ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate; hydrate; dihydrochloride; 2-Benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, (Hydrochloride), hydrate (1; 2-Benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, (Hydrochloride), hydrate (1:2:1); Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate dihydrochloride monohydrate |
IUPAC Name: | ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylatehydratedihydrochloride |
Molecular Weight: | 274.31 + 2(36.46) + (18.02) |
Molecular Formula: | C15H18N2O3·2(HCl)·H2O |
Canonical SMILES: | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3.O.Cl.Cl |
InChI: | InChI=1S/C15H18N2O3.2ClH.H2O/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17/h3-4,9-10,16H,2,5-8H2,1H32*1H1H2 |
InChI Key: | GOKCUPVWRIMFNJ-UHFFFAOYSA-N |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 364.0956626 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 364.0956626 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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