4-(4-Ethylpiperazin-1-yl)aniline trihydrochloride - CAS 1431963-19-7
Catalog: |
BB053236 |
Product Name: |
4-(4-Ethylpiperazin-1-yl)aniline trihydrochloride |
CAS: |
1431963-19-7 |
Synonyms: |
4-(4-Ethylpiperazin-1-yl)anilinetrihydrochloride |
IUPAC Name: | 4-(4-ethylpiperazin-1-yl)aniline;trihydrochloride |
Molecular Weight: | 314.7 |
Molecular Formula: | C12H22Cl3N3 |
Canonical SMILES: | CCN1CCN(CC1)C2=CC=C(C=C2)N.Cl.Cl.Cl |
InChI: | InChI=1S/C12H19N3.3ClH/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;;;/h3-6H,2,7-10,13H2,1H3;3*1H |
InChI Key: | VYMVVTSIQSWHKY-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.087931 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.087931 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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