| CAS Number | 55931-64-1 |
| Catalog Number | AG019XOF(AGN-PC-0NK1PL) |
| Chemical Name | 3-[4-(2-Chlorophenyl)piperazin-1-yl]propan-1-amine |
| IUPAC Name | 3-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine |
| InChI | InChI=1S/C13H20ClN3/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 | UOJJKDOJCHDJQF-UHFFFAOYSA-N |
| MDL Number | MFCD04107604 |
| Molecular Formula | C13H20ClN3 |
| Molecular Weight | 253.7710 |
| SMILES | NCCCN1CCN(C2=C(Cl)C=CC=C2)CC1 |
| Synonyms | 3-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine,
55931-64-1,
AC1Q54HZ,
SCHEMBL9559725,
CTK7E8285,
ZINC54009812,
AKOS005202233,
MCULE-2936697357,
NE40971,
EN300-55603,
3-[4-(2-chlorophenyl)-1-piperazinyl]-1-propanamine,
Z1262237371,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.774g/mol |
| Monoisotopic Mass | 253.135g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number