| CAS Number | 178672-12-3 |
| Catalog Number | AG00J6BA(AGN-PC-03BDXO) |
| Chemical Name | 3-[4-(2-Fluorophenyl)piperazin-1-yl]propan-1-amine |
| IUPAC Name | 3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine |
| InChI | InChI=1S/C13H20FN3/c14-12-4-1-2-5-13(12)17-10-8-16(9-11-17)7-3-6-15/h1-2,4-5H,3,6-11,15H2 |
| InChI Key | AYBUIEUDODPVQZ-UHFFFAOYSA-N |
| MDL Number | MFCD03030387 |
| Molecular Formula | C13H20FN3 |
| Molecular Weight | 237.3164 |
| SMILES | NCCCN1CCN(C2=C(F)C=CC=C2)CC1 |
| Synonyms | 3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine,
178672-12-3,
{3-[4-(2-Fluorophenyl)piperazin-1-yl]propyl}amine,
AC1Q54I0,
SCHEMBL8828353,
TPC-A011,
AYBUIEUDODPVQZ-UHFFFAOYSA-N,
ALBB-021051,
MFCD03030387,
STL183270,
ZINC11805321,
AKOS000265100,
MCULE-4297818152,
NE48208,
EN300-73066,
3-[4-(2-fluorophenyl)piperazin-1-yl]propylamine,
3-[4-(2-Fluorophenyl)-piperazin-1-yl)-propylamine,
Z234898213,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.322g/mol |
| Monoisotopic Mass | 237.164g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number