| CAS Number | 1235439-21-0 |
| Catalog Number | AG01A8GP(AGN-PC-0WOSXK) |
| Chemical Name | 2-Methyl-4-(pyrrolidin-1-yl)aniline dihydrochloride |
| IUPAC Name | 2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride |
| InChI | InChI=1S/C11H16N2.2ClH/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13;;/h4-5,8H,2-3,6-7,12H2,1H3;2*1H |
| InChI Key | JSYOYZXCLBUSLX-UHFFFAOYSA-N |
| MDL Number | MFCD16040049 |
| Molecular Formula | C11H18Cl2N2 |
| Molecular Weight | 249.1800 |
| SMILES | Cl.Cl.CC1=C(N)C=CC(N2CCCC2)=C1 |
| Synonyms | 2-methyl-4-(pyrrolidin-1-yl)aniline dihydrochloride,
1235439-21-0,
AC1Q3A74,
AKOS026742783,
NE59099,
EN300-61572,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.179g/mol |
| Monoisotopic Mass | 248.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number