| CAS Number | 250282-63-4 |
| Catalog Number | AG01BIET |
| Chemical Name | 1-(2,2-diethoxyethyl)-4-phenylpiperazine |
| IUPAC Name | 1-(2,2-diethoxyethyl)-4-phenylpiperazine |
| InChI | InChI=1S/C16H26N2O2/c1-3-19-16(20-4-2)14-17-10-12-18(13-11-17)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3 |
| InChI Key | NPTDTXMCEKNRSE-UHFFFAOYSA-N |
| MDL Number | MFCD30750681 |
| Molecular Formula | C16H26N2O2 |
| Molecular Weight | 278.3898 |
| SMILES | CCOC(OCC)CN1CCN(C2=CC=CC=C2)CC1 |
| Synonyms | 1-(2,2-diethoxyethyl)-4-phenylpiperazine,
250282-63-4,
ZINC39173367,
AKOS012928545,
1-Phenyl-4-(2,2-diethoxyethyl)piperazine,
CID10684017,
1-(2,2-diethoxyethyl)-4-phenyl-piperazine,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.396g/mol |
| Monoisotopic Mass | 278.199g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number