| CAS Number | 359821-44-6 |
| Catalog Number | AG01A7GR(AGN-PC-0LGI89) |
| Chemical Name | 2-amino-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| IUPAC Name | 2-amino-1-(4-phenylpiperazin-1-yl)ethanone |
| InChI | InChI=1S/C12H17N3O/c13-10-12(16)15-8-6-14(7-9-15)11-4-2-1-3-5-11/h1-5H,6-10,13H2 |
| InChI Key | ZIKLEKHJFFJJOZ-UHFFFAOYSA-N |
| MDL Number | MFCD06742064 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.2829 |
| SMILES | NCC(N1CCN(C2=CC=CC=C2)CC1)=O |
| Synonyms | 2-amino-1-(4-phenylpiperazin-1-yl)ethan-1-one,
359821-44-6,
2-amino-1-(4-phenylpiperazin-1-yl)ethanone,
AC1NHK8N,
AC1Q53KU,
Ethanone, 2-amino-1-(4-phenyl-1-piperazinyl)-,
SCHEMBL8245954,
ZINC8436152,
BBL011242,
MFCD06742064,
SBB081903,
STK937096,
AKOS000174912,
MCULE-3434946378,
NE21450,
2-amino-1-(4-phenylpiperazinyl)ethan-1-one,
EN300-58642,
CID4741336,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.288g/mol |
| Monoisotopic Mass | 219.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number