| CAS Number | 938458-85-6 |
| Catalog Number | AG005ZW0(AGN-PC-0WB399) |
| Chemical Name | 2-[3-(2-Methylphenyl)pyrrolidin-1-yl]ethanamine |
| IUPAC Name | 2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethanamine |
| InChI | InChI=1S/C13H20N2/c1-11-4-2-3-5-13(11)12-6-8-15(10-12)9-7-14/h2-5,12H,6-10,14H2,1H3 |
| InChI Key | NJVXTICIQNKNSS-UHFFFAOYSA-N |
| MDL Number | MFCD09055198 |
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.3113 |
| SMILES | C1(CCN(CCN)C1)C1C=CC=CC=1C |
| Synonyms | 938458-85-6,
2-[3-(2-METHYLPHENYL)PYRROLIDIN-1-YL]ETHANAMINE,
2-[3-(2-Methylphenyl)pyrrolidin-1-yl]ethan-1-amine,
SCHEMBL13376707,
CTK5H3493,
DTXSID40672366,
MFCD09055198,
AKOS006341655,
2-(3-(o-Tolyl)pyrrolidin-1-yl)ethanamine,
Y-5035,
2-[3-(2-Methylphenyl)-1-pyrrolidinyl]ethanamine,
2-[3-(2-Methylphenyl)pyrrolidin-1-yl]ethanamine, AldrichCPR,
2-[3- PYRROLIDIN-1-YL]ETHANAMINE,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.317g/mol |
| Monoisotopic Mass | 204.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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