4-(4-Ethylpiperazin-1-yl)-3-fluoroaniline hydrochloride - CAS 1431965-94-4
Catalog: |
BB053250 |
Product Name: |
4-(4-Ethylpiperazin-1-yl)-3-fluoroaniline hydrochloride |
CAS: |
1431965-94-4 |
Synonyms: |
4-(4-Ethylpiperazin-1-yl)-3-fluoroanilinehydrochloride |
IUPAC Name: | 4-(4-ethylpiperazin-1-yl)-3-fluoroaniline;hydrochloride |
Molecular Weight: | 259.75 |
Molecular Formula: | C12H19ClFN3 |
Canonical SMILES: | CCN1CCN(CC1)C2=C(C=C(C=C2)N)F.Cl |
InChI: | InChI=1S/C12H18FN3.ClH/c1-2-15-5-7-16(8-6-15)12-4-3-10(14)9-11(12)13;/h3-4,9H,2,5-8,14H2,1H3;1H |
InChI Key: | AJMAKNWNMBXADE-UHFFFAOYSA-N |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1251535 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1251535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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