| CAS Number | 54493-21-9 |
| Catalog Number | AG019N1C |
| Chemical Name | 1-Methyl-3-(4-phenylpiperazin-1-yl)propylamine |
| IUPAC Name | 4-(4-phenylpiperazin-1-yl)butan-2-amine |
| InChI | InChI=1S/C14H23N3/c1-13(15)7-8-16-9-11-17(12-10-16)14-5-3-2-4-6-14/h2-6,13H,7-12,15H2,1H3 |
| InChI Key | SSLLIGZEBJAXAP-UHFFFAOYSA-N |
| MDL Number | MFCD11099642 |
| Molecular Formula | C14H23N3 |
| Molecular Weight | 233.3525 |
| SMILES | CC(CCN1CCN(C2=CC=CC=C2)CC1)N |
| Synonyms | 4-(4-phenylpiperazin-1-yl)butan-2-amine,
54493-21-9,
1-methyl-3-(4-phenylpiperazin-1-yl)propylamine,
AC1Q2BBJ,
CTK6A7762,
AKOS005945832,
MCULE-9041009955,
NE58821,
EN300-39143,
Z1245633273,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.359g/mol |
| Monoisotopic Mass | 233.189g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number