| CAS Number | 1135228-86-2 |
| Catalog Number | AG00937X |
| Chemical Name | 4-(2-(Pyrrolidin-1-yl)ethyl)aniline hydrochloride |
| IUPAC Name | 4-(2-pyrrolidin-1-ylethyl)aniline;hydrochloride |
| InChI | InChI=1S/C12H18N2.ClH/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14;/h3-6H,1-2,7-10,13H2;1H |
| InChI Key | VTLQRBAYLNEYPZ-UHFFFAOYSA-N |
| MDL Number | MFCD11870783 |
| Molecular Formula | C12H19ClN2 |
| Molecular Weight | 226.7457 |
| SMILES | Cl.Nc1ccc(CCN2CCCC2)cc1 |
| Synonyms | 4-(2-(Pyrrolidin-1-yl)ethyl)aniline hydrochloride,
1135228-86-2,
MLS001208882,
CHEMBL1571593,
DTXSID00647156,
MFCD11870783,
AKOS027385236,
OR307770,
SMR000503988,
T6168,
4-[2-(Pyrrolidin-1-yl)ethyl]aniline--hydrogen chloride (1/1),
4-(2-Pyrrolidin-1-yl-ethyl)-phenylamine,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.748g/mol |
| Monoisotopic Mass | 226.124g/mol |
| Rotatable Bond Count | 3 |
| 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