| CAS Number | 943117-83-7 |
| Catalog Number | AG019MCF |
| Chemical Name | 5-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylaniline |
| IUPAC Name | 5-(2,5-dimethylpyrrol-1-yl)-2-methylaniline |
| InChI | InChI=1S/C13H16N2/c1-9-4-7-12(8-13(9)14)15-10(2)5-6-11(15)3/h4-8H,14H2,1-3H3 |
| InChI Key | MBMCDTHUOFTHRR-UHFFFAOYSA-N |
| MDL Number | MFCD10686756 |
| Molecular Formula | C13H16N2 |
| Molecular Weight | 200.2795 |
| SMILES | CC1N(C2=CC(N)=C(C)C=C2)C(C)=CC=1 |
| Synonyms | 5-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylaniline,
943117-83-7,
AC1Q2JJL,
CTK7D5671,
ZINC9239663,
AKOS000345245,
MCULE-6834664524,
NE24210,
EN300-35760,
Z367451138,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.285g/mol |
| Monoisotopic Mass | 200.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number