| CAS Number | 90931-05-8 |
| Catalog Number | AG006T2K(AGN-PC-00M1QA) |
| Chemical Name | 4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine |
| IUPAC Name | 4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine |
| InChI | InChI=1S/C15H25N3/c1-14-5-4-6-15(13-14)18-11-9-17(10-12-18)8-3-2-7-16/h4-6,13H,2-3,7-12,16H2,1H3 |
| InChI Key | QHPQSVBCZGRFSE-UHFFFAOYSA-N |
| MDL Number | MFCD09723567 |
| Molecular Formula | C15H25N3 |
| Molecular Weight | 247.3791 |
| SMILES | CC1=CC(N2CCN(CCCCN)CC2)=CC=C1 |
| Synonyms | 4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine,
90931-05-8,
1-Piperazinebutanamine, 4-(3-methylphenyl)-,
ACMC-20ezgq,
AC1Q2H5R,
SCHEMBL3198977,
CTK3G5756,
DTXSID70536720,
ZINC11805329,
AKOS000156695,
MCULE-2175118731,
NE19416,
EN300-36764,
Z1142870721,
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| Complexity | 224 |
| 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 | 5 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number