| CAS Number | 2059932-83-9 |
| Catalog Number | AG01BVQY |
| Chemical Name | [2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methanamine hydrochloride |
| IUPAC Name | [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C14H18N2.ClH/c1-10-5-4-6-14(7-10)16-11(2)8-13(9-15)12(16)3;/h4-8H,9,15H2,1-3H3;1H |
| InChI Key | WHXZYRYRHYJKPX-UHFFFAOYSA-N |
| MDL Number | MFCD30497635 |
| Molecular Formula | C14H19ClN2 |
| Molecular Weight | 250.7671 |
| SMILES | Cl.CC1N(C2=CC(C)=CC=C2)C(C)=C(CN)C=1 |
| Synonyms | [2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methanamine hydrochloride,
2059932-83-9,
Z2692095632,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.77g/mol |
| Monoisotopic Mass | 250.124g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number