| CAS Number | 1087784-53-9 |
| Catalog Number | AG019MZK |
| Chemical Name | 1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]propylamine |
| IUPAC Name | 4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-amine |
| InChI | InChI=1S/C15H25N3/c1-13-4-3-5-15(12-13)18-10-8-17(9-11-18)7-6-14(2)16/h3-5,12,14H,6-11,16H2,1-2H3 |
| InChI Key | GTWNGHGXDIZFTP-UHFFFAOYSA-N |
| MDL Number | MFCD11099611 |
| Molecular Formula | C15H25N3 |
| Molecular Weight | 247.3791 |
| SMILES | CC(CCN1CCN(C2=CC(C)=CC=C2)CC1)N |
| Synonyms | 4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-amine,
1087784-53-9,
1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]propylamine,
AC1Q2BBI,
CTK6A7761,
AKOS005945966,
MCULE-8255442287,
NE47546,
EN300-39025,
Z1222331566,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.386g/mol |
| Monoisotopic Mass | 247.205g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number