| CAS Number | 40154-84-5 |
| Catalog Number | AG00I7VE(AGN-PC-0WANDB) |
| Chemical Name | (S)-1-(Pyridin-3-yl)ethanamine DiHCl |
| IUPAC Name | (1S)-1-pyridin-3-ylethanamine;dihydrochloride |
| InChI | InChI=1S/C7H10N2.2ClH/c1-6(8)7-3-2-4-9-5-7;;/h2-6H,8H2,1H3;2*1H/t6-;;/m0../s1 |
| InChI Key | FSDMOCFYBMVHLU-ILKKLZGPSA-N |
| MDL Number | MFCD16987845 |
| Molecular Formula | C7H11ClN2 |
| Molecular Weight | 158.6286 |
| SMILES | C[C@@H](c1cccnc1)N.Cl |
| Synonyms | (S)-1-(Pyridin-3-yl)ethanamine dihydrochloride,
40154-84-5,
KS-00000SAF,
MFCD16987845,
AKOS024258648,
GS-7373,
(S)-1-(Pyridin-3-yl)ethanamine DiHCl,
(S)-1-PYRIDIN-3-YL-ETHYLAMINE 2HCL,
(S)-1-Pyridin-3-yl-ethylamine dihydrochloride,
(1S)-1-(pyridin-3-yl)ethan-1-amine dihydrochloride,
(S)-1-(3-Pyridyl)ethylamine,
27854-93-9,
|
| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.087g/mol |
| Monoisotopic Mass | 194.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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