| CAS Number | 871544-51-3 |
| Catalog Number | AG019OQM(AGN-PC-0WOUHM) |
| Chemical Name | 5-methyl-2-(1-methyl-1H-pyrrol-2-yl)azepane |
| IUPAC Name | 5-methyl-2-(1-methylpyrrol-2-yl)azepane |
| InChI | InChI=1S/C12H20N2/c1-10-5-6-11(13-8-7-10)12-4-3-9-14(12)2/h3-4,9-11,13H,5-8H2,1-2H3 |
| InChI Key | PBOFPZWAILWPJL-UHFFFAOYSA-N |
| MDL Number | MFCD07352300 |
| Molecular Formula | C12H20N2 |
| Molecular Weight | 192.3006 |
| SMILES | CC1CCC(C2N(C)C=CC=2)NCC1 |
| Synonyms | 5-methyl-2-(1-methyl-1H-pyrrol-2-yl)azepane,
871544-51-3,
AC1Q2RAC,
CTK6C3132,
HMS1767O01,
AKOS022225595,
MCULE-1782160318,
NE51272,
EN300-14914,
Z111874948,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.306g/mol |
| Monoisotopic Mass | 192.163g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number