| CAS Number | 214554-43-5 |
| Catalog Number | AG00C1A2(AGN-PC-0N8DJO) |
| Chemical Name | N-Acetyl 4-(dipyrrol-2-yl)methylaniline |
| IUPAC Name | N-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]acetamide |
| InChI | InChI=1S/C17H17N3O/c1-12(21)20-14-8-6-13(7-9-14)17(15-4-2-10-18-15)16-5-3-11-19-16/h2-11,17-19H,1H3,(H,20,21) |
| InChI Key | WLZCFUJEUPUUEL-UHFFFAOYSA-N |
| MDL Number | MFCD08669614 |
| Molecular Formula | C17H17N3O |
| Molecular Weight | 279.3364 |
| SMILES | CC(=O)Nc1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1 |
| Synonyms | 214554-43-5,
5-(4-ACETAMIDOPHENYL)DIPYRROMETHANE,
5-(4-Acetamidophenyl)dipyrromethane (under argon),
N-Acetyl 4-(dipyrrol-2-yl)methylaniline,
N-(4-(Di(1H-pyrrol-2-yl)methyl)phenyl)acetamide,
N-{4-[Di(1H-pyrrol-2-yl)methyl]phenyl}acetamide,
CTK0J7501,
DTXSID60443196,
WLZCFUJEUPUUEL-UHFFFAOYSA-N,
ZINC8700550,
5-(4-acetamidophenyl) dipyrromethane,
AKOS025394530,
RT-010073,
C-0020,
N-[4-[Bis(2-pyrrolyl)methyl]phenyl]acetamide,
J-014080,
Acetamide, N-[4-(di-1H-pyrrol-2-ylmethyl)phenyl]-,
CID10660324,
N-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]acetamide,
5-(4-ACETAMIDOPHENYL)DIPYRROMETHANE (UNDER ARGON),
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.343g/mol |
| Monoisotopic Mass | 279.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number