| CAS Number | 223796-38-1 |
| Catalog Number | AG00IMOX(AGN-PC-0NAE6W) |
| Chemical Name | 1-(5-Phenylpyridin-3-yl)-1,4-diazepane |
| IUPAC Name | 1-(5-phenylpyridin-3-yl)-1,4-diazepane |
| InChI | InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2 |
| InChI Key | YAWZOEAWIFAGIV-UHFFFAOYSA-N |
| MDL Number | MFCD27956143 |
| Molecular Formula | C16H19N3 |
| Molecular Weight | 253.3422 |
| SMILES | N1(C2=CC(C3=CC=CC=C3)=CN=C2)CCNCCC1 |
| Synonyms | 1-(5-phenylpyridin-3-yl)-1,4-diazepane,
223796-38-1,
CHEMBL303889,
1-(5-phenyl-3-pyridyl)homopiperazine,
SCHEMBL6350059,
BDBM50088437,
MFCD27956143,
AK348045,
DS-12684,
NS3570, 3,
1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane,
1-(5-Phenyl-3-pyridyl)hexahydro-1H-1,4-diazepine,
CID10777277,
09Q,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.349g/mol |
| Monoisotopic Mass | 253.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number