| CAS Number | 1481798-77-9 |
| Catalog Number | AG01BF2X |
| Chemical Name | {1-[(4-iodophenyl)methyl]pyrrolidin-2-yl}methanamine |
| IUPAC Name | [1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine |
| InChI | InChI=1S/C12H17IN2/c13-11-5-3-10(4-6-11)9-15-7-1-2-12(15)8-14/h3-6,12H,1-2,7-9,14H2 |
| InChI Key | YKDLYSARECBXAQ-UHFFFAOYSA-N |
| MDL Number | MFCD21243125 |
| Molecular Formula | C12H17IN2 |
| Molecular Weight | 316.1812 |
| SMILES | NCC1N(CC2=CC=C(I)C=C2)CCC1 |
| Synonyms | {1-[(4-iodophenyl)methyl]pyrrolidin-2-yl}methanamine,
1481798-77-9,
AKOS014814251,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.186g/mol |
| Monoisotopic Mass | 316.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number