| CAS Number | 314061-78-4 |
| Catalog Number | AG01ACXS(AGN-PC-03O3QX) |
| Chemical Name | 3-(4-Ethylpiperazin-1-yl)aniline |
| IUPAC Name | 3-(4-ethylpiperazin-1-yl)aniline |
| InChI | InChI=1S/C12H19N3/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9,13H2,1H3 |
| InChI Key | XDXZLNGWAJYQDH-UHFFFAOYSA-N |
| MDL Number | MFCD10032982 |
| Molecular Formula | C12H19N3 |
| Molecular Weight | 205.2994 |
| SMILES | NC1=CC=CC(N2CCN(CC)CC2)=C1 |
| Synonyms | 3-(4-Ethylpiperazin-1-yl)aniline,
314061-78-4,
3-(4-ethylpiperazin-1-yl)-aniline,
SCHEMBL1126080,
XDXZLNGWAJYQDH-UHFFFAOYSA-N,
ZINC20265082,
3-(4-ethyl-piperazin-1-yl)-aniline,
AKOS009290099,
NE30010,
AJ-76681,
Benzenamine, 3-(4-ethyl-1-piperazinyl)-,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.305g/mol |
| Monoisotopic Mass | 205.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number