| CAS Number | 1017428-33-9 |
| Catalog Number | AG008V93(AGN-PC-0WONGZ) |
| Chemical Name | [1-(3-chlorophenyl)pyrrolidin-3-yl]methanamine |
| IUPAC Name | [1-(3-chlorophenyl)pyrrolidin-3-yl]methanamine |
| InChI | InChI=1S/C11H15ClN2/c12-10-2-1-3-11(6-10)14-5-4-9(7-13)8-14/h1-3,6,9H,4-5,7-8,13H2 |
| InChI Key | IAPUBMLRYDQXPO-UHFFFAOYSA-N |
| MDL Number | MFCD09948211 |
| Molecular Formula | C11H15ClN2 |
| Molecular Weight | 210.7032 |
| SMILES | NCC1CN(C2=CC(Cl)=CC=C2)CC1 |
| Synonyms | 1017428-33-9,
(1-(3-Chlorophenyl)pyrrolidin-3-yl)methanamine,
AKOS000193522,
AKOS016346978,
Y-6043,
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]methanamine(SALTDATA,
1-[1-(3-chlorophenyl)-3-pyrrolidinyl]methanamine,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.705g/mol |
| Monoisotopic Mass | 210.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number