| CAS Number: 926927-42-6 ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate |
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| General Information | ||||||
| Product Number: 926927426
CAS Registry Number: 926927-42-6
Name:
3H-1-Benzazepine-4-carboxylic acid, 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-, ethyl ester
Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate
Chemical Formula: C15H13F5N2O2
Exact Mass: 348.09
Molecular Weight: 348.27
m/z: 348.09 (100.0%), 349.09 (17.0%), 350.10 (1.3%)
Elemental Analysis: C, 51.73; H, 3.76; F, 27.28; N, 8.04; O, 9.19
InChI: InChI=1S/C15H13F5N2O2/c1-2-24-13(23)9-5-8-3-4-10(14(16,17)15(18,19)20)7-11(8)22-12(21)6-9/h3-5,7H,2,6H2,1H3,(H2,21,22)
InChIKey: ICZPANLPYRTVSF-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(C=C(C=C2)C(C(F)(F)F)(F)F)N=C(C1)N
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2010), WO 2010014913 A1 20100204. PCT Int. Appl. (2007), WO 2007024612 A2 20070301. |
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