| CAS Number | 1018648-79-7 |
| Catalog Number | AG01A2EB |
| Chemical Name | 3-[4-(propan-2-yl)piperazin-1-yl]aniline |
| IUPAC Name | 3-(4-propan-2-ylpiperazin-1-yl)aniline |
| InChI | InChI=1S/C13H21N3/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h3-5,10-11H,6-9,14H2,1-2H3 |
| InChI Key | SDZISYKRUUHPRE-UHFFFAOYSA-N |
| MDL Number | MFCD10032984 |
| Molecular Formula | C13H21N3 |
| Molecular Weight | 219.3259 |
| SMILES | CC(N1CCN(C2=CC(N)=CC=C2)CC1)C |
| Synonyms | 3-[4-(propan-2-yl)piperazin-1-yl]aniline,
1018648-79-7,
SCHEMBL2452440,
ZINC20265089,
NE42619,
benzenamine, 3-[4-(1-methylethyl)-1-piperazinyl]-,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.332g/mol |
| Monoisotopic Mass | 219.174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number