| CAS Number | 623579-03-3 |
| Catalog Number | AG00EENS(AGN-PC-0T42OO) |
| Chemical Name | rac-[(2R,3S)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methanamine |
| IUPAC Name | [(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine |
| InChI | InChI=1S/C11H17N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6-7,12H2,1H3/t9-,11+/m0/s1 |
| InChI Key | IUMCSWXAFXSTAI-GXSJLCMTSA-N |
| MDL Number | MFCD18251417 |
| Molecular Formula | C11H17N3 |
| Molecular Weight | 191.2728 |
| SMILES | CN1[C@@H](C2=CN=CC=C2)[C@H](CN)CC1 |
| Synonyms | rac-trans 3'-Aminomethyl Nicotine,
623579-03-3,
SCHEMBL4870566,
CTK8E9480,
DTXSID80587763,
ZINC22048584,
AKOS030242744,
RT-015369,
(2S,3R)-rel-1-Methyl-2-(3-pyridinyl)-3-pyrrolidinemethanamine,
[(2R,3S)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methanamine,
1-[(2R,3S)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methanamine,
IUMCSWXAFXSTAI-GXSJLCMTSA-N,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.278g/mol |
| Monoisotopic Mass | 191.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number