| CAS Number | 942613-54-9 |
| Catalog Number | AG01A89V |
| Chemical Name | 3-[4-(Pyridin-4-yl)piperazin-1-yl]propan-1-amine |
| IUPAC Name | 3-(4-pyridin-4-ylpiperazin-1-yl)propan-1-amine |
| InChI | InChI=1S/C12H20N4/c13-4-1-7-15-8-10-16(11-9-15)12-2-5-14-6-3-12/h2-3,5-6H,1,4,7-11,13H2 |
| InChI Key | SPDPAWCDGSUUKN-UHFFFAOYSA-N |
| MDL Number | MFCD11620327 |
| Molecular Formula | C12H20N4 |
| Molecular Weight | 220.3140 |
| SMILES | NCCCN1CCN(C2=CC=NC=C2)CC1 |
| Synonyms | 3-[4-(pyridin-4-yl)piperazin-1-yl]propan-1-amine,
942613-54-9,
AC1Q54I4,
SCHEMBL2516377,
CTK7E8287,
SPDPAWCDGSUUKN-UHFFFAOYSA-N,
ZINC37037823,
AKOS008126194,
MCULE-4858601110,
NE30752,
EN300-61120,
3-(4-pyridin-4-yl-piperazin-1-yl)-propylamine,
Z1222331853,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.32g/mol |
| Monoisotopic Mass | 220.169g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number