| CAS Number | 1341393-59-6 |
| Catalog Number | AG01B54Z |
| Chemical Name | 1-{[4-(aminomethyl)phenyl]methyl}pyrrolidin-3-ol |
| IUPAC Name | 1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-ol |
| InChI | InChI=1S/C12H18N2O/c13-7-10-1-3-11(4-2-10)8-14-6-5-12(15)9-14/h1-4,12,15H,5-9,13H2 |
| InChI Key | VXVKBTHTLZICEQ-UHFFFAOYSA-N |
| MDL Number | MFCD17249250 |
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.2841 |
| SMILES | NCC1=CC=C(CN2CC(O)CC2)C=C1 |
| Synonyms | 1-{[4-(aminomethyl)phenyl]methyl}pyrrolidin-3-ol,
1341393-59-6,
AKOS012239313,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.289g/mol |
| Monoisotopic Mass | 206.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Lot Number