| CAS Number | 1269754-98-4 |
| Catalog Number | AG000WHJ(AGN-PC-0WCYV8) |
| Chemical Name | (S)-1-(Tetrahydro-2H-pyran-4-yl)ethanamine |
| IUPAC Name | (1S)-1-(oxan-4-yl)ethanamine |
| InChI | InChI=1S/C7H15NO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5,8H2,1H3/t6-/m0/s1 |
| InChI Key | WMPAKQDIADKRAQ-LURJTMIESA-N |
| MDL Number | MFCD20921647 |
| Molecular Formula | C7H15NO |
| Molecular Weight | 129.2001 |
| SMILES | C[C@H](N)C1CCOCC1 |
| Synonyms | (S)-1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHANAMINE,
1269754-98-4,
(1S)-1-(Oxan-4-yl)ethan-1-amine,
SCHEMBL1439217,
DTXSID30736244,
WMPAKQDIADKRAQ-LURJTMIESA-N,
MFCD19382427,
ZINC66055003,
AKOS017514809,
AS-36095,
AB0074222,
X-1287,
2H-Pyran-4-methanamine, tetrahydro-alpha-methyl-, (alphaS)-,
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| Complexity | 79 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.203g/mol |
| Monoisotopic Mass | 129.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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