| CAS Number | 1739-10-2 |
| Catalog Number | AG01C2O7(AGN-PC-0NGCB8) |
| Chemical Name | N-(4-phenylbutyl)aniline |
| IUPAC Name | N-(4-phenylbutyl)aniline |
| InChI | InChI=1S/C16H19N/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h1-6,9-10,12-13,17H,7-8,11,14H2 |
| InChI Key | YZJSWWSDXDAMKJ-UHFFFAOYSA-N |
| MDL Number | MFCD12895059 |
| Molecular Formula | C16H19N |
| Molecular Weight | 225.3288 |
| SMILES | C(CNC1=CC=CC=C1)CCC1=CC=CC=C1 |
| Synonyms | N-(4-phenylbutyl)aniline,
1739-10-2,
SCHEMBL3465634,
ZINC37927679,
AKOS005795946,
Z2293642639,
CID11127982,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.335g/mol |
| Monoisotopic Mass | 225.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number