| CAS Number | 1354659-03-2 |
| Catalog Number | AG019Z2H(AGN-PC-0WOA96) |
| Chemical Name | 1-[3-(pyrrolidin-1-yl)phenyl]ethan-1-amine |
| IUPAC Name | 1-(3-pyrrolidin-1-ylphenyl)ethanamine |
| InChI | InChI=1S/C12H18N2/c1-10(13)11-5-4-6-12(9-11)14-7-2-3-8-14/h4-6,9-10H,2-3,7-8,13H2,1H3 |
| InChI Key | AISTVZGIGYAOLQ-UHFFFAOYSA-N |
| MDL Number | MFCD22369827 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.2847 |
| SMILES | CC(C1=CC(N2CCCC2)=CC=C1)N |
| Synonyms | 1-[3-(pyrrolidin-1-yl)phenyl]ethan-1-amine,
1354659-03-2,
AKOS018202035,
MCULE-5365339621,
NE25277,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.29g/mol |
| Monoisotopic Mass | 190.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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