| CAS Number | 105479-11-6 |
| Catalog Number | AG01AGJM(AGN-PC-0OUS4W) |
| Chemical Name | [(4-chlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride |
| IUPAC Name | N-[(4-chlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine;dihydrochloride |
| InChI | InChI=1S/C13H19ClN2.2ClH/c14-13-5-3-12(4-6-13)11-15-7-10-16-8-1-2-9-16;;/h3-6,15H,1-2,7-11H2;2*1H |
| InChI Key | ZQIYFXWOMKTQCJ-UHFFFAOYSA-N |
| MDL Number | MFCD18089447 |
| Molecular Formula | C13H21Cl3N2 |
| Molecular Weight | 311.6782 |
| SMILES | Cl.Cl.ClC1=CC=C(CNCCN2CCCC2)C=C1 |
| Synonyms | [(4-chlorophenyl)methyl][2-(pyrrolidin-1-yl)ethyl]amine dihydrochloride,
105479-11-6,
AC1Q3AD7,
SCHEMBL5760498,
NE32292,
EN300-72041,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.675g/mol |
| Monoisotopic Mass | 310.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number